NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447998 |
2kt8   |
16688 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kt8
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 820
_Distance_constraint_stats_list.Viol_count 274
_Distance_constraint_stats_list.Viol_total 238.798
_Distance_constraint_stats_list.Viol_max 0.356
_Distance_constraint_stats_list.Viol_rms 0.0082
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0436
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLU 0.205 0.114 1 0 "[ . 1 . 2]"
1 3 LYS 0.657 0.206 12 0 "[ . 1 . 2]"
1 4 THR 0.558 0.125 3 0 "[ . 1 . 2]"
1 5 GLY 0.125 0.125 3 0 "[ . 1 . 2]"
1 6 ILE 0.937 0.119 4 0 "[ . 1 . 2]"
1 7 VAL 0.117 0.055 6 0 "[ . 1 . 2]"
1 8 ASN 0.104 0.056 4 0 "[ . 1 . 2]"
1 9 VAL 0.838 0.159 5 0 "[ . 1 . 2]"
1 10 SER 0.075 0.048 3 0 "[ . 1 . 2]"
1 11 SER 0.487 0.159 5 0 "[ . 1 . 2]"
1 12 SER 0.262 0.080 6 0 "[ . 1 . 2]"
1 13 LEU 0.113 0.055 6 0 "[ . 1 . 2]"
1 14 ASN 0.014 0.008 12 0 "[ . 1 . 2]"
1 15 VAL 0.128 0.056 12 0 "[ . 1 . 2]"
1 16 ARG 0.399 0.092 2 0 "[ . 1 . 2]"
1 17 GLU 0.615 0.223 3 0 "[ . 1 . 2]"
1 18 GLY 0.282 0.059 8 0 "[ . 1 . 2]"
1 19 ALA 0.311 0.086 8 0 "[ . 1 . 2]"
1 20 SER 0.425 0.100 5 0 "[ . 1 . 2]"
1 21 THR 0.913 0.247 8 0 "[ . 1 . 2]"
1 22 SER 0.450 0.158 5 0 "[ . 1 . 2]"
1 23 SER 0.916 0.247 8 0 "[ . 1 . 2]"
1 24 LYS 0.959 0.223 3 0 "[ . 1 . 2]"
1 25 VAL 0.289 0.092 2 0 "[ . 1 . 2]"
1 26 ILE 0.325 0.113 8 0 "[ . 1 . 2]"
1 27 GLY 0.059 0.034 1 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.030 0.018 6 0 "[ . 1 . 2]"
1 30 SER 0.086 0.050 14 0 "[ . 1 . 2]"
1 31 GLY 0.287 0.053 20 0 "[ . 1 . 2]"
1 32 ASN 0.144 0.037 6 0 "[ . 1 . 2]"
1 33 THR 0.100 0.050 14 0 "[ . 1 . 2]"
1 34 LYS 0.525 0.108 3 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.205 0.114 1 0 "[ . 1 . 2]"
1 37 ILE 0.726 0.206 12 0 "[ . 1 . 2]"
1 38 VAL 0.247 0.056 5 0 "[ . 1 . 2]"
1 39 GLY 0.155 0.056 5 0 "[ . 1 . 2]"
1 40 GLU 0.762 0.229 5 0 "[ . 1 . 2]"
1 41 GLU 0.450 0.088 17 0 "[ . 1 . 2]"
1 42 GLY 0.088 0.088 17 0 "[ . 1 . 2]"
1 43 ALA 0.213 0.159 7 0 "[ . 1 . 2]"
1 44 PHE 1.010 0.159 7 0 "[ . 1 . 2]"
1 45 TYR 0.509 0.076 18 0 "[ . 1 . 2]"
1 46 LYS 0.367 0.164 17 0 "[ . 1 . 2]"
1 47 ILE 0.114 0.056 12 0 "[ . 1 . 2]"
1 48 GLU 0.175 0.073 16 0 "[ . 1 . 2]"
1 49 TYR 0.070 0.047 8 0 "[ . 1 . 2]"
1 50 LYS 0.108 0.062 18 0 "[ . 1 . 2]"
1 51 GLY 0.163 0.062 18 0 "[ . 1 . 2]"
1 52 SER 0.170 0.065 20 0 "[ . 1 . 2]"
1 53 HIS 0.140 0.065 20 0 "[ . 1 . 2]"
1 54 GLY 0.038 0.038 6 0 "[ . 1 . 2]"
1 55 TYR 0.638 0.164 17 0 "[ . 1 . 2]"
1 56 VAL 0.019 0.007 11 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.698 0.140 15 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 TYR 0.227 0.110 5 0 "[ . 1 . 2]"
1 61 ILE 0.372 0.060 10 0 "[ . 1 . 2]"
1 62 LYS 0.550 0.093 13 0 "[ . 1 . 2]"
1 63 ASP 0.221 0.119 4 0 "[ . 1 . 2]"
1 64 ILE 0.258 0.077 20 0 "[ . 1 . 2]"
1 65 LYS 0.181 0.077 20 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.298 0.132 13 0 "[ . 1 . 2]"
1 68 VAL 1.067 0.356 9 0 "[ . 1 . 2]"
1 69 LEU 0.609 0.356 9 0 "[ . 1 . 2]"
1 70 GLU 0.115 0.046 11 0 "[ . 1 . 2]"
1 71 HIS 0.067 0.046 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA MB 1 2 GLU HA 1.800 . 5.210 4.220 3.717 4.748 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 2 GLU H 1.800 . 4.330 2.993 1.808 3.726 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU HA 1 3 LYS H 1.800 . 3.500 2.224 2.048 2.329 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU QB 1 3 LYS H 1.800 . 4.060 3.191 2.642 3.860 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU QB 1 36 THR MG 1.800 . 4.660 3.488 2.394 4.666 0.006 7 0 "[ . 1 . 2]" 1
6 1 2 GLU QG 1 3 LYS H 1.800 . 4.540 3.622 2.184 4.417 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLU QG 1 36 THR MG 1.800 . 4.100 3.362 2.244 4.214 0.114 1 0 "[ . 1 . 2]" 1
8 1 2 GLU H 1 2 GLU QB 1.800 . 3.750 2.613 2.269 3.311 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLU H 1 2 GLU QG 1.800 . 4.510 2.937 1.897 4.217 . 0 0 "[ . 1 . 2]" 1
10 1 3 LYS HA 1 4 THR MG 1.800 . 5.370 3.591 3.096 5.286 . 0 0 "[ . 1 . 2]" 1
11 1 3 LYS HA 1 4 THR H 1.800 . 3.720 2.325 2.247 2.585 . 0 0 "[ . 1 . 2]" 1
12 1 3 LYS QB 1 4 THR H 1.800 . 4.220 2.761 2.613 3.528 . 0 0 "[ . 1 . 2]" 1
13 1 3 LYS QB 1 37 ILE HB 1.800 . 3.900 2.345 2.272 2.673 . 0 0 "[ . 1 . 2]" 1
14 1 3 LYS QB 1 37 ILE MD 1.800 . 4.270 2.997 2.371 3.801 . 0 0 "[ . 1 . 2]" 1
15 1 3 LYS QB 1 37 ILE H 1.800 . 5.610 3.818 3.295 4.206 . 0 0 "[ . 1 . 2]" 1
16 1 3 LYS QB 1 64 ILE MG 1.800 . 4.440 2.624 2.087 4.478 0.038 18 0 "[ . 1 . 2]" 1
17 1 3 LYS HB3 1 3 LYS QE 1.800 . 5.210 3.648 2.203 4.217 . 0 0 "[ . 1 . 2]" 1
18 1 3 LYS HB2 1 3 LYS QE 1.800 . 5.210 3.479 2.200 4.259 . 0 0 "[ . 1 . 2]" 1
19 1 3 LYS QE 1 37 ILE MG 1.800 . 5.200 4.341 2.408 5.318 0.118 2 0 "[ . 1 . 2]" 1
20 1 3 LYS QG 1 4 THR H 1.800 . 4.810 3.873 2.371 4.593 . 0 0 "[ . 1 . 2]" 1
21 1 3 LYS QG 1 37 ILE MD 1.800 . 5.200 4.685 3.732 5.406 0.206 12 0 "[ . 1 . 2]" 1
22 1 3 LYS QG 1 37 ILE MG 1.800 . 5.290 4.282 3.577 4.773 . 0 0 "[ . 1 . 2]" 1
23 1 3 LYS QG 1 64 ILE MG 1.800 . 4.540 3.654 3.018 4.253 . 0 0 "[ . 1 . 2]" 1
24 1 3 LYS H 1 3 LYS QB 1.800 . 3.640 2.617 2.442 2.702 . 0 0 "[ . 1 . 2]" 1
25 1 3 LYS H 1 3 LYS QG 1.800 . 4.150 3.071 2.457 4.104 . 0 0 "[ . 1 . 2]" 1
26 1 3 LYS H 1 36 THR MG 1.800 . 4.920 3.983 3.216 4.904 . 0 0 "[ . 1 . 2]" 1
27 1 3 LYS H 1 37 ILE HB 1.800 . 4.430 3.199 1.799 3.978 0.001 12 0 "[ . 1 . 2]" 1
28 1 3 LYS H 1 37 ILE MD 1.800 . 5.740 4.799 4.014 5.479 . 0 0 "[ . 1 . 2]" 1
29 1 3 LYS H 1 37 ILE MG 1.800 . 5.090 4.023 3.249 4.656 . 0 0 "[ . 1 . 2]" 1
30 1 3 LYS H 1 37 ILE H 1.800 . 4.290 3.130 2.677 3.703 . 0 0 "[ . 1 . 2]" 1
31 1 4 THR HA 1 4 THR MG 1.800 . 3.760 2.335 2.211 2.518 . 0 0 "[ . 1 . 2]" 1
32 1 4 THR HA 1 5 GLY H 1.800 . 3.850 2.150 1.951 2.289 . 0 0 "[ . 1 . 2]" 1
33 1 4 THR HA 1 36 THR HA 1.800 . 4.030 2.842 2.379 3.303 . 0 0 "[ . 1 . 2]" 1
34 1 4 THR HA 1 37 ILE MD 1.800 . 5.310 3.617 2.901 4.583 . 0 0 "[ . 1 . 2]" 1
35 1 4 THR HA 1 37 ILE H 1.800 . 4.490 3.043 2.512 3.584 . 0 0 "[ . 1 . 2]" 1
36 1 4 THR HB 1 5 GLY H 1.800 . 3.860 3.466 2.769 3.985 0.125 3 0 "[ . 1 . 2]" 1
37 1 4 THR HB 1 34 LYS QD 1.800 . 5.200 3.329 2.311 5.308 0.108 3 0 "[ . 1 . 2]" 1
38 1 4 THR HB 1 34 LYS QE 1.800 . 5.210 3.515 2.204 4.896 . 0 0 "[ . 1 . 2]" 1
39 1 4 THR HB 1 34 LYS HG3 1.800 . 5.040 3.561 2.498 5.081 0.041 1 0 "[ . 1 . 2]" 1
40 1 4 THR HB 1 34 LYS HG2 1.800 . 5.040 3.602 2.520 5.029 . 0 0 "[ . 1 . 2]" 1
41 1 4 THR MG 1 5 GLY H 1.800 . 5.000 3.902 2.479 4.241 . 0 0 "[ . 1 . 2]" 1
42 1 4 THR MG 1 34 LYS QD 1.800 . 4.420 3.349 2.171 4.416 . 0 0 "[ . 1 . 2]" 1
43 1 4 THR MG 1 34 LYS QE 1.800 . 4.520 3.336 2.133 4.614 0.094 12 0 "[ . 1 . 2]" 1
44 1 4 THR MG 1 36 THR HA 1.800 . 4.000 2.720 2.398 3.201 . 0 0 "[ . 1 . 2]" 1
45 1 4 THR MG 1 37 ILE H 1.800 . 6.050 3.718 3.202 4.389 . 0 0 "[ . 1 . 2]" 1
46 1 4 THR H 1 4 THR MG 1.800 . 4.650 2.860 2.444 3.999 . 0 0 "[ . 1 . 2]" 1
47 1 5 GLY QA 1 35 VAL MG2 1.800 . 5.080 3.049 2.558 3.435 . 0 0 "[ . 1 . 2]" 1
48 1 5 GLY QA 1 37 ILE MD 1.800 . 4.350 2.545 2.126 3.172 . 0 0 "[ . 1 . 2]" 1
49 1 5 GLY QA 1 61 ILE MG 1.800 . 3.800 2.212 2.007 2.611 . 0 0 "[ . 1 . 2]" 1
50 1 5 GLY QA 1 64 ILE QG 1.800 . 4.790 2.587 2.088 3.013 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLY HA3 1 6 ILE H 1.800 . 3.850 3.145 3.025 3.242 . 0 0 "[ . 1 . 2]" 1
52 1 5 GLY HA2 1 6 ILE H 1.800 . 3.850 2.208 2.160 2.259 . 0 0 "[ . 1 . 2]" 1
53 1 5 GLY H 1 35 VAL MG2 1.800 . 4.250 2.685 2.188 3.034 . 0 0 "[ . 1 . 2]" 1
54 1 5 GLY H 1 35 VAL H 1.800 . 4.230 3.105 2.612 3.720 . 0 0 "[ . 1 . 2]" 1
55 1 6 ILE HA 1 6 ILE MD 1.800 . 3.720 2.412 2.069 2.836 . 0 0 "[ . 1 . 2]" 1
56 1 6 ILE HA 1 7 VAL MG2 1.800 . 4.600 3.705 3.464 3.798 . 0 0 "[ . 1 . 2]" 1
57 1 6 ILE HA 1 7 VAL H 1.800 . 3.480 2.172 2.131 2.192 . 0 0 "[ . 1 . 2]" 1
58 1 6 ILE HA 1 34 LYS HA 1.800 . 4.110 2.819 2.289 3.187 . 0 0 "[ . 1 . 2]" 1
59 1 6 ILE HB 1 6 ILE MD 1.800 . 3.600 2.711 2.258 3.217 . 0 0 "[ . 1 . 2]" 1
60 1 6 ILE HB 1 7 VAL H 1.800 . 5.600 4.288 4.120 4.402 . 0 0 "[ . 1 . 2]" 1
61 1 6 ILE HB 1 62 LYS QG 1.800 . 4.400 3.658 2.596 4.493 0.093 13 0 "[ . 1 . 2]" 1
62 1 6 ILE HB 1 63 ASP HB3 1.800 . 5.040 3.522 2.368 4.452 . 0 0 "[ . 1 . 2]" 1
63 1 6 ILE HB 1 63 ASP HB2 1.800 . 5.040 3.053 2.343 4.160 . 0 0 "[ . 1 . 2]" 1
64 1 6 ILE MD 1 7 VAL H 1.800 . 5.540 4.171 3.667 4.651 . 0 0 "[ . 1 . 2]" 1
65 1 6 ILE MD 1 34 LYS HA 1.800 . 4.280 3.512 2.638 4.175 . 0 0 "[ . 1 . 2]" 1
66 1 6 ILE MD 1 34 LYS QB 1.800 . 4.890 3.736 2.712 4.783 . 0 0 "[ . 1 . 2]" 1
67 1 6 ILE MD 1 34 LYS QE 1.800 . 5.440 3.929 2.058 5.481 0.041 2 0 "[ . 1 . 2]" 1
68 1 6 ILE MD 1 34 LYS QG 1.800 . 4.650 2.985 1.961 4.621 . 0 0 "[ . 1 . 2]" 1
69 1 6 ILE MD 1 35 VAL H 1.800 . 5.130 4.269 3.657 5.025 . 0 0 "[ . 1 . 2]" 1
70 1 6 ILE MD 1 63 ASP HB3 1.800 . 4.680 3.412 2.271 4.702 0.022 1 0 "[ . 1 . 2]" 1
71 1 6 ILE MD 1 63 ASP HB2 1.800 . 5.000 3.768 2.274 5.119 0.119 4 0 "[ . 1 . 2]" 1
72 1 6 ILE MG 1 7 VAL H 1.800 . 4.070 2.793 2.628 3.022 . 0 0 "[ . 1 . 2]" 1
73 1 6 ILE MG 1 8 ASN HA 1.800 . 5.040 4.127 3.702 4.631 . 0 0 "[ . 1 . 2]" 1
74 1 6 ILE MG 1 32 ASN HA 1.800 . 4.300 2.802 2.382 3.198 . 0 0 "[ . 1 . 2]" 1
75 1 6 ILE MG 1 32 ASN QB 1.800 . 4.610 4.116 3.419 4.548 . 0 0 "[ . 1 . 2]" 1
76 1 6 ILE MG 1 32 ASN H 1.800 . 4.460 4.278 3.843 4.497 0.037 6 0 "[ . 1 . 2]" 1
77 1 6 ILE MG 1 33 THR H 1.800 . 4.890 4.524 4.018 4.904 0.014 2 0 "[ . 1 . 2]" 1
78 1 6 ILE MG 1 34 LYS HA 1.800 . 5.370 4.178 3.513 4.454 . 0 0 "[ . 1 . 2]" 1
79 1 6 ILE MG 1 63 ASP QB 1.800 . 5.140 3.669 3.233 4.067 . 0 0 "[ . 1 . 2]" 1
80 1 6 ILE H 1 6 ILE HB 1.800 . 3.900 2.455 2.302 2.652 . 0 0 "[ . 1 . 2]" 1
81 1 6 ILE H 1 6 ILE MD 1.800 . 4.200 2.416 1.779 3.886 0.021 6 0 "[ . 1 . 2]" 1
82 1 6 ILE H 1 61 ILE MG 1.800 . 3.930 3.224 2.703 3.627 . 0 0 "[ . 1 . 2]" 1
83 1 6 ILE H 1 62 LYS H 1.800 . 4.110 3.233 3.001 3.502 . 0 0 "[ . 1 . 2]" 1
84 1 6 ILE H 1 63 ASP HB3 1.800 . 5.540 4.132 3.048 5.144 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE H 1 63 ASP HB2 1.800 . 5.540 4.099 2.862 5.204 . 0 0 "[ . 1 . 2]" 1
86 1 7 VAL HA 1 7 VAL MG1 1.800 . 3.690 2.366 2.333 2.399 . 0 0 "[ . 1 . 2]" 1
87 1 7 VAL HA 1 7 VAL MG2 1.800 . 3.670 2.340 2.257 2.474 . 0 0 "[ . 1 . 2]" 1
88 1 7 VAL HA 1 8 ASN H 1.800 . 3.420 2.196 2.157 2.230 . 0 0 "[ . 1 . 2]" 1
89 1 7 VAL HA 1 13 LEU MD2 1.800 . 5.300 3.787 3.523 4.303 . 0 0 "[ . 1 . 2]" 1
90 1 7 VAL HA 1 61 ILE HA 1.800 . 4.180 3.085 2.846 3.417 . 0 0 "[ . 1 . 2]" 1
91 1 7 VAL HA 1 61 ILE MD 1.800 . 3.700 2.832 2.200 3.705 0.005 6 0 "[ . 1 . 2]" 1
92 1 7 VAL HB 1 31 GLY QA 1.800 . 4.520 3.566 3.054 4.104 . 0 0 "[ . 1 . 2]" 1
93 1 7 VAL HB 1 32 ASN H 1.800 . 4.230 3.304 2.842 3.888 . 0 0 "[ . 1 . 2]" 1
94 1 7 VAL HB 1 33 THR HB 1.800 . 4.610 3.130 2.588 3.735 . 0 0 "[ . 1 . 2]" 1
95 1 7 VAL HB 1 33 THR H 1.800 . 3.660 2.370 1.823 3.055 . 0 0 "[ . 1 . 2]" 1
96 1 7 VAL MG1 1 8 ASN HA 1.800 . 5.330 3.680 3.424 4.014 . 0 0 "[ . 1 . 2]" 1
97 1 7 VAL MG1 1 8 ASN H 1.800 . 4.250 2.711 2.491 3.324 . 0 0 "[ . 1 . 2]" 1
98 1 7 VAL MG1 1 9 VAL MG2 1.800 . 4.300 2.446 2.169 4.003 . 0 0 "[ . 1 . 2]" 1
99 1 7 VAL MG1 1 9 VAL H 1.800 . 4.210 3.436 2.883 3.709 . 0 0 "[ . 1 . 2]" 1
100 1 7 VAL MG1 1 12 SER HA 1.800 . 6.050 4.687 4.246 5.238 . 0 0 "[ . 1 . 2]" 1
101 1 7 VAL MG1 1 13 LEU QB 1.800 . 3.690 2.238 1.961 2.492 . 0 0 "[ . 1 . 2]" 1
102 1 7 VAL MG1 1 13 LEU H 1.800 . 4.490 4.059 3.624 4.545 0.055 6 0 "[ . 1 . 2]" 1
103 1 7 VAL MG1 1 29 LEU QB 1.800 . 4.630 3.426 2.990 3.826 . 0 0 "[ . 1 . 2]" 1
104 1 7 VAL MG1 1 31 GLY QA 1.800 . 3.630 2.526 2.218 3.221 . 0 0 "[ . 1 . 2]" 1
105 1 7 VAL MG1 1 31 GLY H 1.800 . 5.160 4.729 3.756 5.200 0.040 5 0 "[ . 1 . 2]" 1
106 1 7 VAL MG1 1 32 ASN H 1.800 . 4.520 3.056 2.716 4.006 . 0 0 "[ . 1 . 2]" 1
107 1 7 VAL MG2 1 29 LEU QB 1.800 . 3.750 3.390 3.084 3.740 . 0 0 "[ . 1 . 2]" 1
108 1 7 VAL MG2 1 29 LEU MD1 1.800 . 3.840 3.114 2.111 3.499 . 0 0 "[ . 1 . 2]" 1
109 1 7 VAL MG2 1 32 ASN H 1.800 . 5.200 4.799 4.450 5.217 0.017 18 0 "[ . 1 . 2]" 1
110 1 7 VAL MG2 1 33 THR HB 1.800 . 4.110 3.077 2.615 3.726 . 0 0 "[ . 1 . 2]" 1
111 1 7 VAL MG2 1 33 THR MG 1.800 . 4.820 3.651 3.022 4.291 . 0 0 "[ . 1 . 2]" 1
112 1 7 VAL MG2 1 33 THR H 1.800 . 4.290 3.738 3.223 4.180 . 0 0 "[ . 1 . 2]" 1
113 1 7 VAL MG2 1 34 LYS HA 1.800 . 5.590 3.792 3.094 4.165 . 0 0 "[ . 1 . 2]" 1
114 1 7 VAL MG2 1 61 ILE HA 1.800 . 5.210 4.040 3.705 4.644 . 0 0 "[ . 1 . 2]" 1
115 1 7 VAL MG2 1 61 ILE MD 1.800 . 3.980 2.513 2.003 3.159 . 0 0 "[ . 1 . 2]" 1
116 1 7 VAL H 1 7 VAL HB 1.800 . 3.780 2.419 2.371 2.603 . 0 0 "[ . 1 . 2]" 1
117 1 7 VAL H 1 7 VAL MG1 1.800 . 5.460 3.758 3.742 3.784 . 0 0 "[ . 1 . 2]" 1
118 1 7 VAL H 1 7 VAL MG2 1.800 . 3.520 2.287 1.948 2.359 . 0 0 "[ . 1 . 2]" 1
119 1 7 VAL H 1 33 THR HB 1.800 . 5.250 4.573 4.355 4.910 . 0 0 "[ . 1 . 2]" 1
120 1 7 VAL H 1 33 THR H 1.800 . 4.870 3.694 3.145 4.324 . 0 0 "[ . 1 . 2]" 1
121 1 7 VAL H 1 34 LYS HA 1.800 . 5.380 3.400 2.877 3.792 . 0 0 "[ . 1 . 2]" 1
122 1 8 ASN HA 1 9 VAL H 1.800 . 3.430 2.219 2.163 2.339 . 0 0 "[ . 1 . 2]" 1
123 1 8 ASN QB 1 60 TYR HA 1.800 . 5.270 4.039 2.779 4.817 . 0 0 "[ . 1 . 2]" 1
124 1 8 ASN QB 1 62 LYS QB 1.800 . 4.690 3.569 2.533 4.746 0.056 4 0 "[ . 1 . 2]" 1
125 1 8 ASN QB 1 62 LYS QD 1.800 . 4.180 3.073 1.988 4.069 . 0 0 "[ . 1 . 2]" 1
126 1 8 ASN H 1 9 VAL MG1 1.800 . 5.270 3.299 3.003 4.013 . 0 0 "[ . 1 . 2]" 1
127 1 8 ASN H 1 9 VAL H 1.800 . 5.360 4.039 3.636 4.263 . 0 0 "[ . 1 . 2]" 1
128 1 8 ASN H 1 60 TYR HA 1.800 . 4.810 3.833 3.336 4.382 . 0 0 "[ . 1 . 2]" 1
129 1 8 ASN H 1 60 TYR QB 1.800 . 5.420 3.543 2.648 4.202 . 0 0 "[ . 1 . 2]" 1
130 1 8 ASN H 1 61 ILE HA 1.800 . 5.200 3.812 3.322 4.375 . 0 0 "[ . 1 . 2]" 1
131 1 8 ASN H 1 61 ILE MD 1.800 . 4.880 3.950 3.356 4.827 . 0 0 "[ . 1 . 2]" 1
132 1 9 VAL HA 1 9 VAL MG1 1.800 . 3.970 2.300 2.226 3.195 . 0 0 "[ . 1 . 2]" 1
133 1 9 VAL HA 1 10 SER H 1.800 . 3.480 2.415 2.184 3.441 . 0 0 "[ . 1 . 2]" 1
134 1 9 VAL HB 1 10 SER H 1.800 . 4.030 2.914 2.467 4.078 0.048 3 0 "[ . 1 . 2]" 1
135 1 9 VAL HB 1 11 SER H 1.800 . 4.080 2.784 2.329 4.239 0.159 5 0 "[ . 1 . 2]" 1
136 1 9 VAL MG1 1 10 SER H 1.800 . 4.910 3.781 3.633 4.105 . 0 0 "[ . 1 . 2]" 1
137 1 9 VAL MG1 1 11 SER H 1.800 . 5.300 4.269 3.618 4.724 . 0 0 "[ . 1 . 2]" 1
138 1 9 VAL MG1 1 12 SER H 1.800 . 5.420 4.554 4.033 5.500 0.080 6 0 "[ . 1 . 2]" 1
139 1 9 VAL MG1 1 13 LEU HA 1.800 . 4.420 3.074 2.467 4.182 . 0 0 "[ . 1 . 2]" 1
140 1 9 VAL MG1 1 13 LEU QB 1.800 . 3.790 2.250 2.126 2.634 . 0 0 "[ . 1 . 2]" 1
141 1 9 VAL MG1 1 13 LEU MD1 1.800 . 4.360 2.465 2.188 4.231 . 0 0 "[ . 1 . 2]" 1
142 1 9 VAL MG1 1 13 LEU HG 1.800 . 5.750 4.496 4.284 5.336 . 0 0 "[ . 1 . 2]" 1
143 1 9 VAL MG1 1 13 LEU H 1.800 . 5.440 4.193 3.469 4.868 . 0 0 "[ . 1 . 2]" 1
144 1 9 VAL MG1 1 31 GLY QA 1.800 . 5.120 3.827 2.006 4.176 . 0 0 "[ . 1 . 2]" 1
145 1 9 VAL MG1 1 31 GLY H 1.800 . 6.050 5.766 3.259 6.103 0.053 20 0 "[ . 1 . 2]" 1
146 1 9 VAL MG1 1 60 TYR QB 1.800 . 4.020 2.620 2.116 4.130 0.110 5 0 "[ . 1 . 2]" 1
147 1 9 VAL MG1 1 60 TYR QD 1.800 . 4.220 2.389 2.165 4.242 0.022 5 0 "[ . 1 . 2]" 1
148 1 9 VAL MG2 1 10 SER H 1.800 . 4.540 3.518 2.416 4.058 . 0 0 "[ . 1 . 2]" 1
149 1 9 VAL MG2 1 11 SER H 1.800 . 3.890 2.835 1.680 3.812 0.120 5 0 "[ . 1 . 2]" 1
150 1 9 VAL MG2 1 12 SER HA 1.800 . 4.480 2.522 2.169 3.127 . 0 0 "[ . 1 . 2]" 1
151 1 9 VAL MG2 1 12 SER H 1.800 . 4.610 3.095 2.240 4.093 . 0 0 "[ . 1 . 2]" 1
152 1 9 VAL MG2 1 13 LEU HA 1.800 . 5.040 3.588 3.042 3.946 . 0 0 "[ . 1 . 2]" 1
153 1 9 VAL MG2 1 13 LEU QB 1.800 . 4.620 2.608 2.269 3.430 . 0 0 "[ . 1 . 2]" 1
154 1 9 VAL MG2 1 13 LEU H 1.800 . 5.060 3.141 2.722 3.855 . 0 0 "[ . 1 . 2]" 1
155 1 9 VAL MG2 1 31 GLY QA 1.800 . 3.990 2.245 1.985 3.905 . 0 0 "[ . 1 . 2]" 1
156 1 9 VAL MG2 1 31 GLY H 1.800 . 4.660 3.690 3.360 4.687 0.027 5 0 "[ . 1 . 2]" 1
157 1 9 VAL H 1 9 VAL MG1 1.800 . 4.410 3.049 2.181 3.199 . 0 0 "[ . 1 . 2]" 1
158 1 9 VAL H 1 9 VAL MG2 1.800 . 3.990 2.187 1.958 3.862 . 0 0 "[ . 1 . 2]" 1
159 1 9 VAL H 1 31 GLY QA 1.800 . 4.610 3.217 2.609 3.637 . 0 0 "[ . 1 . 2]" 1
160 1 10 SER HA 1 11 SER H 1.800 . 3.900 3.461 3.102 3.582 . 0 0 "[ . 1 . 2]" 1
161 1 10 SER QB 1 11 SER H 1.800 . 4.270 3.174 2.308 3.984 . 0 0 "[ . 1 . 2]" 1
162 1 10 SER H 1 10 SER QB 1.800 . 3.790 2.488 2.204 3.033 . 0 0 "[ . 1 . 2]" 1
163 1 10 SER H 1 11 SER H 1.800 . 3.960 2.601 2.322 3.540 . 0 0 "[ . 1 . 2]" 1
164 1 11 SER HA 1 12 SER H 1.800 . 3.900 3.295 2.150 3.586 . 0 0 "[ . 1 . 2]" 1
165 1 11 SER QB 1 12 SER QB 1.800 . 4.050 3.671 3.242 4.085 0.035 3 0 "[ . 1 . 2]" 1
166 1 11 SER QB 1 12 SER H 1.800 . 3.760 2.443 1.774 3.820 0.060 3 0 "[ . 1 . 2]" 1
167 1 11 SER H 1 12 SER H 1.800 . 4.330 2.961 2.229 3.819 . 0 0 "[ . 1 . 2]" 1
168 1 12 SER HA 1 13 LEU H 1.800 . 3.480 2.423 2.264 2.574 . 0 0 "[ . 1 . 2]" 1
169 1 12 SER HA 1 30 SER HA 1.800 . 4.020 3.313 2.522 3.940 . 0 0 "[ . 1 . 2]" 1
170 1 12 SER HA 1 31 GLY H 1.800 . 4.650 3.454 2.569 4.127 . 0 0 "[ . 1 . 2]" 1
171 1 12 SER QB 1 13 LEU H 1.800 . 3.790 2.666 2.244 3.537 . 0 0 "[ . 1 . 2]" 1
172 1 12 SER QB 1 30 SER HA 1.800 . 4.400 3.546 2.945 4.254 . 0 0 "[ . 1 . 2]" 1
173 1 13 LEU HA 1 13 LEU MD1 1.800 . 3.630 2.085 2.065 2.127 . 0 0 "[ . 1 . 2]" 1
174 1 13 LEU HA 1 13 LEU MD2 1.800 . 5.280 3.794 3.781 3.822 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU HA 1 14 ASN H 1.800 . 3.420 2.174 2.135 2.193 . 0 0 "[ . 1 . 2]" 1
176 1 13 LEU QB 1 13 LEU MD2 1.800 . 3.340 2.100 2.084 2.113 . 0 0 "[ . 1 . 2]" 1
177 1 13 LEU QB 1 56 VAL MG1 1.800 . 4.500 4.322 4.081 4.507 0.007 11 0 "[ . 1 . 2]" 1
178 1 13 LEU MD1 1 14 ASN H 1.800 . 4.200 1.931 1.792 2.363 0.008 12 0 "[ . 1 . 2]" 1
179 1 13 LEU MD1 1 56 VAL HB 1.800 . 4.730 3.628 3.056 4.353 . 0 0 "[ . 1 . 2]" 1
180 1 13 LEU MD1 1 57 ALA MB 1.800 . 4.890 4.210 3.745 4.596 . 0 0 "[ . 1 . 2]" 1
181 1 13 LEU MD1 1 57 ALA H 1.800 . 4.610 3.948 3.518 4.329 . 0 0 "[ . 1 . 2]" 1
182 1 13 LEU MD1 1 60 TYR HB3 1.800 . 4.070 3.000 2.330 3.844 . 0 0 "[ . 1 . 2]" 1
183 1 13 LEU MD1 1 60 TYR HB2 1.800 . 4.070 3.075 2.465 4.049 . 0 0 "[ . 1 . 2]" 1
184 1 13 LEU MD1 1 60 TYR QD 1.800 . 3.830 2.695 2.280 3.180 . 0 0 "[ . 1 . 2]" 1
185 1 13 LEU MD1 1 60 TYR QE 1.800 . 4.430 3.484 2.845 4.023 . 0 0 "[ . 1 . 2]" 1
186 1 13 LEU MD1 1 60 TYR H 1.800 . 5.670 4.820 4.266 5.661 . 0 0 "[ . 1 . 2]" 1
187 1 13 LEU MD2 1 29 LEU MD1 1.800 . 4.100 3.312 2.532 4.091 . 0 0 "[ . 1 . 2]" 1
188 1 13 LEU MD2 1 29 LEU H 1.800 . 4.970 4.802 4.491 4.988 0.018 6 0 "[ . 1 . 2]" 1
189 1 13 LEU MD2 1 56 VAL HB 1.800 . 3.760 2.488 2.296 2.753 . 0 0 "[ . 1 . 2]" 1
190 1 13 LEU MD2 1 56 VAL MG1 1.800 . 3.780 2.300 2.089 2.541 . 0 0 "[ . 1 . 2]" 1
191 1 13 LEU MD2 1 60 TYR QB 1.800 . 4.090 2.315 2.079 2.879 . 0 0 "[ . 1 . 2]" 1
192 1 13 LEU MD2 1 60 TYR QD 1.800 . 5.310 3.486 3.012 4.092 . 0 0 "[ . 1 . 2]" 1
193 1 13 LEU MD2 1 61 ILE MD 1.800 . 4.150 2.810 2.153 4.020 . 0 0 "[ . 1 . 2]" 1
194 1 13 LEU HG 1 14 ASN H 1.800 . 4.660 3.058 2.874 3.168 . 0 0 "[ . 1 . 2]" 1
195 1 13 LEU HG 1 56 VAL MG1 1.800 . 3.940 3.099 2.935 3.319 . 0 0 "[ . 1 . 2]" 1
196 1 13 LEU H 1 13 LEU QB 1.800 . 3.660 2.474 2.411 2.683 . 0 0 "[ . 1 . 2]" 1
197 1 13 LEU H 1 13 LEU MD1 1.800 . 5.980 4.278 4.251 4.305 . 0 0 "[ . 1 . 2]" 1
198 1 13 LEU H 1 29 LEU QB 1.800 . 5.500 3.750 2.879 4.184 . 0 0 "[ . 1 . 2]" 1
199 1 13 LEU H 1 29 LEU H 1.800 . 3.940 3.003 2.590 3.601 . 0 0 "[ . 1 . 2]" 1
200 1 13 LEU H 1 30 SER HA 1.800 . 4.860 4.026 3.530 4.388 . 0 0 "[ . 1 . 2]" 1
201 1 14 ASN HA 1 15 VAL MG2 1.800 . 4.930 3.603 3.349 3.690 . 0 0 "[ . 1 . 2]" 1
202 1 14 ASN HA 1 15 VAL H 1.800 . 3.300 2.247 2.149 2.337 . 0 0 "[ . 1 . 2]" 1
203 1 14 ASN HA 1 25 VAL MG1 1.800 . 4.320 3.495 2.932 3.776 . 0 0 "[ . 1 . 2]" 1
204 1 14 ASN HA 1 28 SER HA 1.800 . 3.990 2.414 2.293 2.836 . 0 0 "[ . 1 . 2]" 1
205 1 14 ASN HA 1 28 SER QB 1.800 . 4.490 2.870 2.233 3.755 . 0 0 "[ . 1 . 2]" 1
206 1 14 ASN HA 1 29 LEU H 1.800 . 4.870 3.699 3.372 4.118 . 0 0 "[ . 1 . 2]" 1
207 1 14 ASN QB 1 15 VAL H 1.800 . 4.090 2.939 2.680 3.364 . 0 0 "[ . 1 . 2]" 1
208 1 14 ASN QB 1 25 VAL MG1 1.800 . 4.090 2.545 2.091 3.140 . 0 0 "[ . 1 . 2]" 1
209 1 14 ASN QB 1 25 VAL MG2 1.800 . 4.110 2.490 2.096 3.143 . 0 0 "[ . 1 . 2]" 1
210 1 14 ASN QD 1 25 VAL MG1 1.800 . 5.120 3.921 2.716 5.003 . 0 0 "[ . 1 . 2]" 1
211 1 14 ASN QD 1 25 VAL MG2 1.800 . 4.530 3.425 2.374 4.211 . 0 0 "[ . 1 . 2]" 1
212 1 14 ASN H 1 14 ASN QB 1.800 . 3.730 2.417 2.293 2.755 . 0 0 "[ . 1 . 2]" 1
213 1 15 VAL HA 1 15 VAL MG1 1.800 . 3.710 2.379 2.293 2.419 . 0 0 "[ . 1 . 2]" 1
214 1 15 VAL HA 1 15 VAL MG2 1.800 . 3.930 2.319 2.242 2.425 . 0 0 "[ . 1 . 2]" 1
215 1 15 VAL HA 1 16 ARG H 1.800 . 3.420 2.197 2.139 2.336 . 0 0 "[ . 1 . 2]" 1
216 1 15 VAL HA 1 56 VAL HA 1.800 . 5.270 4.559 4.310 4.948 . 0 0 "[ . 1 . 2]" 1
217 1 15 VAL HA 1 56 VAL MG1 1.800 . 3.590 2.792 2.455 3.147 . 0 0 "[ . 1 . 2]" 1
218 1 15 VAL HB 1 27 GLY QA 1.800 . 4.460 3.591 2.341 4.015 . 0 0 "[ . 1 . 2]" 1
219 1 15 VAL HB 1 27 GLY H 1.800 . 3.400 2.980 2.279 3.434 0.034 1 0 "[ . 1 . 2]" 1
220 1 15 VAL HB 1 28 SER HA 1.800 . 5.640 3.821 3.393 4.726 . 0 0 "[ . 1 . 2]" 1
221 1 15 VAL HB 1 28 SER H 1.800 . 5.400 4.591 3.988 5.295 . 0 0 "[ . 1 . 2]" 1
222 1 15 VAL MG1 1 16 ARG H 1.800 . 3.890 2.576 2.088 2.705 . 0 0 "[ . 1 . 2]" 1
223 1 15 VAL MG1 1 26 ILE MD 1.800 . 4.300 2.473 2.055 3.367 . 0 0 "[ . 1 . 2]" 1
224 1 15 VAL MG1 1 26 ILE HG13 1.800 . 4.530 2.832 2.456 3.240 . 0 0 "[ . 1 . 2]" 1
225 1 15 VAL MG1 1 26 ILE HG12 1.800 . 4.530 2.566 2.286 3.565 . 0 0 "[ . 1 . 2]" 1
226 1 15 VAL MG1 1 26 ILE H 1.800 . 5.090 3.576 3.254 4.080 . 0 0 "[ . 1 . 2]" 1
227 1 15 VAL MG1 1 27 GLY H 1.800 . 5.030 4.055 3.058 4.505 . 0 0 "[ . 1 . 2]" 1
228 1 15 VAL MG1 1 47 ILE MD 1.800 . 3.630 3.248 2.603 3.686 0.056 12 0 "[ . 1 . 2]" 1
229 1 15 VAL MG1 1 49 TYR HB3 1.800 . 5.020 3.751 3.097 4.358 . 0 0 "[ . 1 . 2]" 1
230 1 15 VAL MG1 1 49 TYR HB2 1.800 . 5.020 3.240 2.620 3.766 . 0 0 "[ . 1 . 2]" 1
231 1 15 VAL MG1 1 49 TYR QD 1.800 . 4.890 3.252 2.678 3.875 . 0 0 "[ . 1 . 2]" 1
232 1 15 VAL MG1 1 49 TYR QE 1.800 . 5.460 3.998 3.465 4.575 . 0 0 "[ . 1 . 2]" 1
233 1 15 VAL MG1 1 54 GLY QA 1.800 . 3.520 2.172 1.964 2.528 . 0 0 "[ . 1 . 2]" 1
234 1 15 VAL MG1 1 54 GLY H 1.800 . 5.380 4.139 3.843 4.645 . 0 0 "[ . 1 . 2]" 1
235 1 15 VAL MG1 1 55 TYR H 1.800 . 4.000 2.807 2.373 3.313 . 0 0 "[ . 1 . 2]" 1
236 1 15 VAL MG1 1 56 VAL MG1 1.800 . 3.880 3.285 2.846 3.625 . 0 0 "[ . 1 . 2]" 1
237 1 15 VAL MG2 1 27 GLY QA 1.800 . 5.870 3.832 2.802 4.535 . 0 0 "[ . 1 . 2]" 1
238 1 15 VAL MG2 1 28 SER HA 1.800 . 4.050 2.514 2.301 2.906 . 0 0 "[ . 1 . 2]" 1
239 1 15 VAL MG2 1 28 SER H 1.800 . 5.070 3.871 3.216 4.355 . 0 0 "[ . 1 . 2]" 1
240 1 15 VAL MG2 1 29 LEU QB 1.800 . 4.630 3.643 3.387 4.340 . 0 0 "[ . 1 . 2]" 1
241 1 15 VAL MG2 1 29 LEU MD1 1.800 . 3.310 2.493 2.183 3.191 . 0 0 "[ . 1 . 2]" 1
242 1 15 VAL MG2 1 29 LEU MD2 1.800 . 4.110 3.091 2.783 3.597 . 0 0 "[ . 1 . 2]" 1
243 1 15 VAL MG2 1 29 LEU HG 1.800 . 3.560 2.250 2.045 2.799 . 0 0 "[ . 1 . 2]" 1
244 1 15 VAL MG2 1 29 LEU H 1.800 . 4.550 3.372 3.098 3.826 . 0 0 "[ . 1 . 2]" 1
245 1 15 VAL MG2 1 47 ILE MD 1.800 . 4.100 3.032 2.550 3.681 . 0 0 "[ . 1 . 2]" 1
246 1 15 VAL MG2 1 49 TYR QD 1.800 . 5.090 3.207 2.550 3.809 . 0 0 "[ . 1 . 2]" 1
247 1 15 VAL MG2 1 49 TYR QE 1.800 . 4.950 3.240 2.614 3.855 . 0 0 "[ . 1 . 2]" 1
248 1 15 VAL MG2 1 56 VAL MG1 1.800 . 3.820 3.067 2.602 3.477 . 0 0 "[ . 1 . 2]" 1
249 1 15 VAL H 1 15 VAL HB 1.800 . 3.540 2.427 2.374 2.561 . 0 0 "[ . 1 . 2]" 1
250 1 15 VAL H 1 15 VAL MG2 1.800 . 3.630 2.527 2.118 2.826 . 0 0 "[ . 1 . 2]" 1
251 1 15 VAL H 1 25 VAL MG1 1.800 . 3.880 2.757 2.479 3.204 . 0 0 "[ . 1 . 2]" 1
252 1 15 VAL H 1 27 GLY H 1.800 . 4.490 3.500 3.207 3.730 . 0 0 "[ . 1 . 2]" 1
253 1 15 VAL H 1 28 SER HA 1.800 . 4.280 2.622 2.325 2.993 . 0 0 "[ . 1 . 2]" 1
254 1 16 ARG HA 1 16 ARG QD 1.800 . 5.080 3.867 2.207 4.147 . 0 0 "[ . 1 . 2]" 1
255 1 16 ARG HA 1 16 ARG QG 1.800 . 3.970 2.339 2.287 2.805 . 0 0 "[ . 1 . 2]" 1
256 1 16 ARG HA 1 17 GLU H 1.800 . 3.420 2.191 2.143 2.273 . 0 0 "[ . 1 . 2]" 1
257 1 16 ARG HA 1 18 GLY H 1.800 . 5.420 4.111 3.730 5.263 . 0 0 "[ . 1 . 2]" 1
258 1 16 ARG HA 1 25 VAL HA 1.800 . 3.700 2.886 2.533 3.342 . 0 0 "[ . 1 . 2]" 1
259 1 16 ARG HA 1 25 VAL MG1 1.800 . 5.250 4.299 3.845 4.858 . 0 0 "[ . 1 . 2]" 1
260 1 16 ARG HA 1 25 VAL MG2 1.800 . 5.470 3.489 2.801 4.071 . 0 0 "[ . 1 . 2]" 1
261 1 16 ARG HA 1 26 ILE QG 1.800 . 5.010 4.118 3.565 4.701 . 0 0 "[ . 1 . 2]" 1
262 1 16 ARG HA 1 26 ILE MG 1.800 . 5.260 4.576 3.775 5.071 . 0 0 "[ . 1 . 2]" 1
263 1 16 ARG HA 1 26 ILE H 1.800 . 4.800 3.927 3.398 4.319 . 0 0 "[ . 1 . 2]" 1
264 1 16 ARG HA 1 27 GLY H 1.800 . 5.780 5.465 4.973 5.786 0.006 14 0 "[ . 1 . 2]" 1
265 1 16 ARG QB 1 55 TYR HB3 1.800 . 6.050 3.802 3.389 4.297 . 0 0 "[ . 1 . 2]" 1
266 1 16 ARG QB 1 55 TYR HB2 1.800 . 6.050 2.765 2.304 3.241 . 0 0 "[ . 1 . 2]" 1
267 1 16 ARG HB3 1 17 GLU H 1.800 . 4.710 3.171 2.710 3.374 . 0 0 "[ . 1 . 2]" 1
268 1 16 ARG HB3 1 18 GLY H 1.800 . 4.590 3.191 2.506 4.471 . 0 0 "[ . 1 . 2]" 1
269 1 16 ARG HB2 1 17 GLU H 1.800 . 4.710 4.170 3.871 4.332 . 0 0 "[ . 1 . 2]" 1
270 1 16 ARG HB2 1 18 GLY H 1.800 . 4.800 4.378 3.762 4.796 . 0 0 "[ . 1 . 2]" 1
271 1 16 ARG QD 1 21 THR HA 1.800 . 4.750 3.422 2.343 4.782 0.032 5 0 "[ . 1 . 2]" 1
272 1 16 ARG QD 1 23 SER H 1.800 . 4.250 3.182 2.007 4.283 0.033 4 0 "[ . 1 . 2]" 1
273 1 16 ARG QD 1 25 VAL MG2 1.800 . 4.800 4.372 2.527 4.892 0.092 2 0 "[ . 1 . 2]" 1
274 1 16 ARG QD 1 44 PHE QE 1.800 . 5.860 3.805 2.486 5.521 . 0 0 "[ . 1 . 2]" 1
275 1 16 ARG HE 1 21 THR HA 1.800 . 5.800 4.075 2.310 5.820 0.020 15 0 "[ . 1 . 2]" 1
276 1 16 ARG QG 1 17 GLU H 1.800 . 5.130 3.992 3.810 4.592 . 0 0 "[ . 1 . 2]" 1
277 1 16 ARG QG 1 25 VAL HA 1.800 . 4.730 3.897 3.071 4.426 . 0 0 "[ . 1 . 2]" 1
278 1 16 ARG QG 1 25 VAL MG2 1.800 . 4.410 3.020 2.331 3.876 . 0 0 "[ . 1 . 2]" 1
279 1 16 ARG H 1 16 ARG QG 1.800 . 4.300 2.767 2.531 3.345 . 0 0 "[ . 1 . 2]" 1
280 1 16 ARG H 1 55 TYR QB 1.800 . 5.460 3.871 3.497 4.288 . 0 0 "[ . 1 . 2]" 1
281 1 16 ARG H 1 55 TYR H 1.800 . 4.130 2.935 2.567 3.290 . 0 0 "[ . 1 . 2]" 1
282 1 16 ARG H 1 56 VAL MG1 1.800 . 4.640 3.291 2.859 3.768 . 0 0 "[ . 1 . 2]" 1
283 1 17 GLU HA 1 17 GLU QG 1.800 . 3.960 2.555 2.302 3.315 . 0 0 "[ . 1 . 2]" 1
284 1 17 GLU HA 1 26 ILE MD 1.800 . 4.300 3.293 2.430 4.327 0.027 16 0 "[ . 1 . 2]" 1
285 1 17 GLU HA 1 26 ILE QG 1.800 . 5.140 4.046 3.095 5.142 0.002 16 0 "[ . 1 . 2]" 1
286 1 17 GLU HA 1 26 ILE MG 1.800 . 5.140 3.892 3.007 4.834 . 0 0 "[ . 1 . 2]" 1
287 1 17 GLU QB 1 24 LYS QB 1.800 . 4.380 3.048 2.338 4.443 0.063 11 0 "[ . 1 . 2]" 1
288 1 17 GLU QB 1 24 LYS H 1.800 . 5.130 3.785 2.644 5.075 . 0 0 "[ . 1 . 2]" 1
289 1 17 GLU QB 1 26 ILE MG 1.800 . 4.300 2.422 2.082 3.613 . 0 0 "[ . 1 . 2]" 1
290 1 17 GLU QG 1 18 GLY H 1.800 . 4.790 3.663 1.986 4.413 . 0 0 "[ . 1 . 2]" 1
291 1 17 GLU QG 1 24 LYS QB 1.800 . 4.580 4.210 2.761 4.803 0.223 3 0 "[ . 1 . 2]" 1
292 1 17 GLU QG 1 24 LYS QD 1.800 . 5.300 4.770 3.813 5.339 0.039 14 0 "[ . 1 . 2]" 1
293 1 17 GLU QG 1 26 ILE MG 1.800 . 4.800 3.228 2.028 3.705 . 0 0 "[ . 1 . 2]" 1
294 1 17 GLU H 1 17 GLU QB 1.800 . 3.540 2.297 2.214 2.507 . 0 0 "[ . 1 . 2]" 1
295 1 17 GLU H 1 17 GLU QG 1.800 . 4.330 3.644 1.963 4.053 . 0 0 "[ . 1 . 2]" 1
296 1 17 GLU H 1 18 GLY H 1.800 . 4.050 2.663 2.219 4.075 0.025 18 0 "[ . 1 . 2]" 1
297 1 17 GLU H 1 26 ILE QG 1.800 . 5.180 3.947 3.155 4.486 . 0 0 "[ . 1 . 2]" 1
298 1 17 GLU H 1 26 ILE MG 1.800 . 5.180 3.632 3.117 4.076 . 0 0 "[ . 1 . 2]" 1
299 1 18 GLY QA 1 55 TYR QD 1.800 . 4.980 3.658 2.549 4.171 . 0 0 "[ . 1 . 2]" 1
300 1 18 GLY QA 1 55 TYR QE 1.800 . 4.210 3.898 3.193 4.243 0.033 5 0 "[ . 1 . 2]" 1
301 1 18 GLY HA3 1 19 ALA H 1.800 . 3.660 2.624 2.182 3.400 . 0 0 "[ . 1 . 2]" 1
302 1 18 GLY HA2 1 19 ALA H 1.800 . 3.660 2.662 2.181 3.224 . 0 0 "[ . 1 . 2]" 1
303 1 18 GLY H 1 23 SER HB3 1.800 . 4.200 2.929 1.838 4.259 0.059 8 0 "[ . 1 . 2]" 1
304 1 18 GLY H 1 23 SER HB2 1.800 . 4.800 3.115 1.799 4.857 0.057 18 0 "[ . 1 . 2]" 1
305 1 18 GLY H 1 55 TYR QD 1.800 . 5.010 4.016 1.787 4.837 0.013 18 0 "[ . 1 . 2]" 1
306 1 19 ALA HA 1 20 SER H 1.800 . 3.600 3.066 2.432 3.411 . 0 0 "[ . 1 . 2]" 1
307 1 19 ALA HA 1 44 PHE QB 1.800 . 5.180 3.510 2.807 4.265 . 0 0 "[ . 1 . 2]" 1
308 1 19 ALA HA 1 44 PHE QD 1.800 . 5.220 3.990 3.318 4.273 . 0 0 "[ . 1 . 2]" 1
309 1 19 ALA HA 1 55 TYR QB 1.800 . 5.300 2.861 2.172 3.710 . 0 0 "[ . 1 . 2]" 1
310 1 19 ALA HA 1 55 TYR QD 1.800 . 5.200 3.898 3.303 5.080 . 0 0 "[ . 1 . 2]" 1
311 1 19 ALA MB 1 20 SER H 1.800 . 4.470 3.355 1.714 3.735 0.086 8 0 "[ . 1 . 2]" 1
312 1 19 ALA MB 1 41 GLU QB 1.800 . 4.300 3.444 2.540 4.102 . 0 0 "[ . 1 . 2]" 1
313 1 19 ALA MB 1 41 GLU QG 1.800 . 4.040 3.417 2.718 4.101 0.061 15 0 "[ . 1 . 2]" 1
314 1 19 ALA MB 1 44 PHE HB3 1.800 . 4.580 4.045 3.188 4.600 0.020 17 0 "[ . 1 . 2]" 1
315 1 19 ALA MB 1 44 PHE HB2 1.800 . 4.580 3.197 2.790 3.681 . 0 0 "[ . 1 . 2]" 1
316 1 19 ALA MB 1 44 PHE QD 1.800 . 4.360 3.204 2.581 3.830 . 0 0 "[ . 1 . 2]" 1
317 1 19 ALA MB 1 44 PHE H 1.800 . 5.180 4.910 4.338 5.203 0.023 6 0 "[ . 1 . 2]" 1
318 1 19 ALA MB 1 55 TYR QD 1.800 . 4.420 3.549 2.901 3.986 . 0 0 "[ . 1 . 2]" 1
319 1 19 ALA MB 1 55 TYR QE 1.800 . 4.430 3.999 3.151 4.441 0.011 4 0 "[ . 1 . 2]" 1
320 1 19 ALA H 1 19 ALA MB 1.800 . 3.300 2.401 2.221 2.884 . 0 0 "[ . 1 . 2]" 1
321 1 20 SER HA 1 21 THR H 1.800 . 3.340 2.389 2.274 2.775 . 0 0 "[ . 1 . 2]" 1
322 1 20 SER HA 1 44 PHE QE 1.800 . 4.820 4.360 3.632 4.880 0.060 4 0 "[ . 1 . 2]" 1
323 1 20 SER HA 1 44 PHE HZ 1.800 . 4.990 4.517 3.452 5.017 0.027 11 0 "[ . 1 . 2]" 1
324 1 20 SER QB 1 22 SER H 1.800 . 4.600 3.193 2.444 4.700 0.100 5 0 "[ . 1 . 2]" 1
325 1 20 SER QB 1 23 SER QB 1.800 . 3.950 3.058 2.056 3.982 0.032 12 0 "[ . 1 . 2]" 1
326 1 20 SER QB 1 23 SER H 1.800 . 4.310 3.430 2.583 4.213 . 0 0 "[ . 1 . 2]" 1
327 1 20 SER HB3 1 21 THR H 1.800 . 4.610 3.236 2.165 4.503 . 0 0 "[ . 1 . 2]" 1
328 1 20 SER HB2 1 21 THR H 1.800 . 4.610 3.562 2.471 4.242 . 0 0 "[ . 1 . 2]" 1
329 1 20 SER H 1 20 SER QB 1.800 . 3.760 2.595 2.264 3.278 . 0 0 "[ . 1 . 2]" 1
330 1 21 THR HA 1 21 THR MG 1.800 . 3.750 2.364 2.247 3.189 . 0 0 "[ . 1 . 2]" 1
331 1 21 THR HA 1 23 SER H 1.800 . 4.840 4.051 3.365 5.087 0.247 8 0 "[ . 1 . 2]" 1
332 1 21 THR HA 1 44 PHE QE 1.800 . 6.000 3.947 2.623 4.896 . 0 0 "[ . 1 . 2]" 1
333 1 21 THR HA 1 44 PHE HZ 1.800 . 4.790 3.788 2.327 4.831 0.041 10 0 "[ . 1 . 2]" 1
334 1 21 THR MG 1 22 SER H 1.800 . 5.420 3.696 2.288 4.238 . 0 0 "[ . 1 . 2]" 1
335 1 21 THR MG 1 44 PHE QE 1.800 . 4.650 3.964 2.560 4.646 . 0 0 "[ . 1 . 2]" 1
336 1 21 THR MG 1 44 PHE HZ 1.800 . 4.080 3.351 2.281 4.088 0.008 6 0 "[ . 1 . 2]" 1
337 1 21 THR H 1 21 THR MG 1.800 . 3.920 2.783 1.808 3.768 . 0 0 "[ . 1 . 2]" 1
338 1 21 THR H 1 22 SER H 1.800 . 4.140 2.875 2.488 4.298 0.158 5 0 "[ . 1 . 2]" 1
339 1 21 THR H 1 23 SER H 1.800 . 5.030 4.401 3.863 5.045 0.015 17 0 "[ . 1 . 2]" 1
340 1 21 THR H 1 44 PHE QE 1.800 . 5.700 4.776 3.976 5.484 . 0 0 "[ . 1 . 2]" 1
341 1 21 THR H 1 44 PHE HZ 1.800 . 5.440 4.258 3.385 5.012 . 0 0 "[ . 1 . 2]" 1
342 1 22 SER H 1 23 SER H 1.800 . 3.720 2.881 2.408 3.371 . 0 0 "[ . 1 . 2]" 1
343 1 23 SER HA 1 24 LYS H 1.800 . 3.500 2.656 2.259 3.561 0.061 16 0 "[ . 1 . 2]" 1
344 1 23 SER QB 1 24 LYS H 1.800 . 3.650 2.546 1.864 3.548 . 0 0 "[ . 1 . 2]" 1
345 1 23 SER H 1 23 SER HB3 1.800 . 4.030 3.015 2.353 3.591 . 0 0 "[ . 1 . 2]" 1
346 1 23 SER H 1 23 SER HB2 1.800 . 4.030 2.795 2.121 3.628 . 0 0 "[ . 1 . 2]" 1
347 1 24 LYS HA 1 25 VAL HB 1.800 . 5.440 4.566 4.493 4.806 . 0 0 "[ . 1 . 2]" 1
348 1 24 LYS HA 1 25 VAL MG2 1.800 . 4.940 3.653 3.407 3.830 . 0 0 "[ . 1 . 2]" 1
349 1 24 LYS HA 1 25 VAL H 1.800 . 3.300 2.194 2.115 2.245 . 0 0 "[ . 1 . 2]" 1
350 1 24 LYS HB3 1 25 VAL H 1.800 . 4.820 3.940 2.959 4.336 . 0 0 "[ . 1 . 2]" 1
351 1 24 LYS HB2 1 25 VAL H 1.800 . 4.820 4.101 2.977 4.494 . 0 0 "[ . 1 . 2]" 1
352 1 24 LYS QD 1 26 ILE MG 1.800 . 4.770 3.711 2.759 4.883 0.113 8 0 "[ . 1 . 2]" 1
353 1 24 LYS QE 1 26 ILE MG 1.800 . 4.740 3.893 2.575 4.803 0.063 12 0 "[ . 1 . 2]" 1
354 1 24 LYS QG 1 25 VAL H 1.800 . 4.230 2.956 2.458 3.964 . 0 0 "[ . 1 . 2]" 1
355 1 24 LYS H 1 24 LYS HB3 1.800 . 3.810 2.846 2.501 3.606 . 0 0 "[ . 1 . 2]" 1
356 1 24 LYS H 1 24 LYS HB2 1.800 . 3.810 2.801 2.393 3.656 . 0 0 "[ . 1 . 2]" 1
357 1 24 LYS H 1 24 LYS QG 1.800 . 4.630 3.543 1.821 4.251 . 0 0 "[ . 1 . 2]" 1
358 1 25 VAL HA 1 25 VAL MG1 1.800 . 3.720 2.376 2.334 2.422 . 0 0 "[ . 1 . 2]" 1
359 1 25 VAL HA 1 25 VAL MG2 1.800 . 3.790 2.307 2.244 2.400 . 0 0 "[ . 1 . 2]" 1
360 1 25 VAL HA 1 26 ILE H 1.800 . 3.300 2.179 2.136 2.200 . 0 0 "[ . 1 . 2]" 1
361 1 25 VAL HA 1 27 GLY H 1.800 . 4.520 3.530 3.337 4.021 . 0 0 "[ . 1 . 2]" 1
362 1 25 VAL MG1 1 26 ILE H 1.800 . 3.710 2.656 2.550 2.989 . 0 0 "[ . 1 . 2]" 1
363 1 25 VAL MG1 1 27 GLY H 1.800 . 3.550 2.124 1.782 3.320 0.018 3 0 "[ . 1 . 2]" 1
364 1 25 VAL H 1 25 VAL HB 1.800 . 3.340 2.424 2.379 2.579 . 0 0 "[ . 1 . 2]" 1
365 1 25 VAL H 1 25 VAL MG2 1.800 . 3.440 2.426 2.087 2.723 . 0 0 "[ . 1 . 2]" 1
366 1 26 ILE HA 1 26 ILE MD 1.800 . 5.240 4.137 4.130 4.145 . 0 0 "[ . 1 . 2]" 1
367 1 26 ILE HA 1 26 ILE MG 1.800 . 3.560 2.312 2.236 2.353 . 0 0 "[ . 1 . 2]" 1
368 1 26 ILE HB 1 26 ILE MD 1.800 . 3.590 2.304 2.258 2.353 . 0 0 "[ . 1 . 2]" 1
369 1 26 ILE HB 1 27 GLY H 1.800 . 5.470 4.175 3.423 4.264 . 0 0 "[ . 1 . 2]" 1
370 1 26 ILE MD 1 49 TYR QD 1.800 . 4.190 2.782 2.262 4.049 . 0 0 "[ . 1 . 2]" 1
371 1 26 ILE MD 1 49 TYR QE 1.800 . 4.910 3.163 2.354 4.911 0.001 6 0 "[ . 1 . 2]" 1
372 1 26 ILE MD 1 54 GLY HA3 1.800 . 4.300 3.795 3.018 4.338 0.038 6 0 "[ . 1 . 2]" 1
373 1 26 ILE MD 1 54 GLY HA2 1.800 . 4.300 3.355 2.607 4.044 . 0 0 "[ . 1 . 2]" 1
374 1 26 ILE QG 1 49 TYR QE 1.800 . 5.620 3.698 3.196 4.530 . 0 0 "[ . 1 . 2]" 1
375 1 26 ILE HG13 1 27 GLY H 1.800 . 4.750 2.901 1.798 3.069 0.002 6 0 "[ . 1 . 2]" 1
376 1 26 ILE HG12 1 27 GLY H 1.800 . 4.750 3.333 2.744 3.508 . 0 0 "[ . 1 . 2]" 1
377 1 26 ILE MD 1 26 ILE MG 1.800 . 3.730 1.923 1.813 2.021 . 0 0 "[ . 1 . 2]" 1
378 1 26 ILE QG 1 26 ILE MG 1.800 . 3.550 2.254 2.207 2.281 . 0 0 "[ . 1 . 2]" 1
379 1 26 ILE H 1 26 ILE MD 1.800 . 4.730 3.687 3.624 3.787 . 0 0 "[ . 1 . 2]" 1
380 1 26 ILE H 1 26 ILE HG13 1.800 . 4.280 2.762 2.615 2.868 . 0 0 "[ . 1 . 2]" 1
381 1 26 ILE H 1 26 ILE HG12 1.800 . 4.280 1.971 1.893 2.099 . 0 0 "[ . 1 . 2]" 1
382 1 26 ILE H 1 26 ILE MG 1.800 . 3.940 2.660 2.531 3.073 . 0 0 "[ . 1 . 2]" 1
383 1 26 ILE H 1 27 GLY H 1.800 . 3.420 2.107 1.893 2.241 . 0 0 "[ . 1 . 2]" 1
384 1 27 GLY QA 1 28 SER QB 1.800 . 4.630 3.909 3.683 4.077 . 0 0 "[ . 1 . 2]" 1
385 1 27 GLY QA 1 49 TYR QE 1.800 . 4.830 3.613 2.269 4.693 . 0 0 "[ . 1 . 2]" 1
386 1 27 GLY HA3 1 28 SER H 1.800 . 3.760 2.484 2.350 2.682 . 0 0 "[ . 1 . 2]" 1
387 1 27 GLY HA2 1 28 SER H 1.800 . 3.760 2.715 2.481 2.878 . 0 0 "[ . 1 . 2]" 1
388 1 28 SER HA 1 29 LEU H 1.800 . 3.370 2.378 2.278 2.470 . 0 0 "[ . 1 . 2]" 1
389 1 28 SER QB 1 29 LEU H 1.800 . 3.920 2.758 2.395 3.459 . 0 0 "[ . 1 . 2]" 1
390 1 28 SER H 1 49 TYR QE 1.800 . 5.510 4.344 3.023 5.451 . 0 0 "[ . 1 . 2]" 1
391 1 29 LEU HA 1 29 LEU MD2 1.800 . 3.470 2.116 2.101 2.146 . 0 0 "[ . 1 . 2]" 1
392 1 29 LEU HA 1 30 SER H 1.800 . 3.300 2.261 2.223 2.311 . 0 0 "[ . 1 . 2]" 1
393 1 29 LEU QB 1 30 SER H 1.800 . 3.900 2.758 2.683 2.855 . 0 0 "[ . 1 . 2]" 1
394 1 29 LEU HB3 1 29 LEU MD1 1.800 . 3.940 2.395 2.328 2.457 . 0 0 "[ . 1 . 2]" 1
395 1 29 LEU HB2 1 29 LEU MD1 1.800 . 3.940 2.325 2.274 2.389 . 0 0 "[ . 1 . 2]" 1
396 1 29 LEU MD1 1 33 THR MG 1.800 . 4.800 3.196 2.495 4.049 . 0 0 "[ . 1 . 2]" 1
397 1 29 LEU MD1 1 35 VAL MG1 1.800 . 3.780 2.155 1.928 2.520 . 0 0 "[ . 1 . 2]" 1
398 1 29 LEU MD1 1 47 ILE MD 1.800 . 4.270 2.667 2.175 3.062 . 0 0 "[ . 1 . 2]" 1
399 1 29 LEU MD1 1 49 TYR QE 1.800 . 4.400 3.947 3.305 4.390 . 0 0 "[ . 1 . 2]" 1
400 1 29 LEU MD1 1 56 VAL MG1 1.800 . 4.160 3.412 2.588 3.776 . 0 0 "[ . 1 . 2]" 1
401 1 29 LEU MD2 1 30 SER H 1.800 . 4.470 3.404 3.331 3.491 . 0 0 "[ . 1 . 2]" 1
402 1 29 LEU MD2 1 33 THR MG 1.800 . 3.830 3.043 2.232 3.808 . 0 0 "[ . 1 . 2]" 1
403 1 29 LEU MD2 1 47 ILE MD 1.800 . 4.930 4.308 3.573 4.882 . 0 0 "[ . 1 . 2]" 1
404 1 29 LEU MD2 1 49 TYR QD 1.800 . 4.500 3.045 2.338 3.704 . 0 0 "[ . 1 . 2]" 1
405 1 29 LEU MD2 1 49 TYR QE 1.800 . 3.700 2.505 2.134 3.115 . 0 0 "[ . 1 . 2]" 1
406 1 29 LEU HG 1 49 TYR QE 1.800 . 4.600 4.004 3.166 4.526 . 0 0 "[ . 1 . 2]" 1
407 1 29 LEU H 1 29 LEU QB 1.800 . 3.710 2.600 2.526 2.648 . 0 0 "[ . 1 . 2]" 1
408 1 29 LEU H 1 29 LEU MD1 1.800 . 5.050 3.996 3.924 4.050 . 0 0 "[ . 1 . 2]" 1
409 1 29 LEU H 1 29 LEU MD2 1.800 . 5.140 3.751 3.665 3.947 . 0 0 "[ . 1 . 2]" 1
410 1 29 LEU H 1 29 LEU HG 1.800 . 4.760 2.841 2.757 3.023 . 0 0 "[ . 1 . 2]" 1
411 1 30 SER HA 1 31 GLY QA 1.800 . 4.820 3.978 3.933 4.208 . 0 0 "[ . 1 . 2]" 1
412 1 30 SER HA 1 31 GLY H 1.800 . 3.430 2.446 2.269 3.329 . 0 0 "[ . 1 . 2]" 1
413 1 30 SER QB 1 33 THR MG 1.800 . 4.800 4.099 3.216 4.850 0.050 14 0 "[ . 1 . 2]" 1
414 1 30 SER HB3 1 31 GLY H 1.800 . 4.520 3.417 2.521 4.221 . 0 0 "[ . 1 . 2]" 1
415 1 30 SER HB2 1 31 GLY H 1.800 . 4.520 3.511 2.460 4.273 . 0 0 "[ . 1 . 2]" 1
416 1 30 SER H 1 30 SER QB 1.800 . 3.630 2.362 2.238 2.677 . 0 0 "[ . 1 . 2]" 1
417 1 31 GLY QA 1 32 ASN H 1.800 . 3.300 2.238 2.191 2.270 . 0 0 "[ . 1 . 2]" 1
418 1 31 GLY QA 1 33 THR H 1.800 . 5.120 3.163 2.936 3.384 . 0 0 "[ . 1 . 2]" 1
419 1 32 ASN HB3 1 33 THR H 1.800 . 5.950 4.111 3.152 4.524 . 0 0 "[ . 1 . 2]" 1
420 1 32 ASN HB2 1 33 THR H 1.800 . 5.950 4.132 3.640 4.594 . 0 0 "[ . 1 . 2]" 1
421 1 32 ASN H 1 33 THR H 1.800 . 4.280 2.773 2.708 2.998 . 0 0 "[ . 1 . 2]" 1
422 1 33 THR HA 1 33 THR MG 1.800 . 3.600 2.337 2.264 2.397 . 0 0 "[ . 1 . 2]" 1
423 1 33 THR HA 1 34 LYS QB 1.800 . 4.880 4.206 4.017 4.430 . 0 0 "[ . 1 . 2]" 1
424 1 33 THR HA 1 34 LYS H 1.800 . 3.300 2.184 2.104 2.220 . 0 0 "[ . 1 . 2]" 1
425 1 33 THR HB 1 34 LYS H 1.800 . 4.850 4.150 3.925 4.298 . 0 0 "[ . 1 . 2]" 1
426 1 33 THR MG 1 34 LYS H 1.800 . 3.970 2.551 2.355 2.706 . 0 0 "[ . 1 . 2]" 1
427 1 33 THR MG 1 35 VAL MG1 1.800 . 3.710 2.734 2.230 3.330 . 0 0 "[ . 1 . 2]" 1
428 1 33 THR H 1 33 THR HB 1.800 . 3.830 2.505 2.405 2.611 . 0 0 "[ . 1 . 2]" 1
429 1 33 THR H 1 33 THR MG 1.800 . 4.630 3.781 3.765 3.812 . 0 0 "[ . 1 . 2]" 1
430 1 34 LYS HA 1 34 LYS QD 1.800 . 5.440 3.946 2.267 4.264 . 0 0 "[ . 1 . 2]" 1
431 1 34 LYS HA 1 34 LYS QG 1.800 . 3.860 2.484 2.298 3.317 . 0 0 "[ . 1 . 2]" 1
432 1 34 LYS HA 1 35 VAL MG1 1.800 . 5.640 3.743 3.472 3.933 . 0 0 "[ . 1 . 2]" 1
433 1 34 LYS HA 1 35 VAL MG2 1.800 . 5.080 3.437 3.352 3.578 . 0 0 "[ . 1 . 2]" 1
434 1 34 LYS HA 1 35 VAL H 1.800 . 3.300 2.230 2.153 2.295 . 0 0 "[ . 1 . 2]" 1
435 1 34 LYS QB 1 34 LYS QE 1.800 . 5.040 3.082 2.180 3.661 . 0 0 "[ . 1 . 2]" 1
436 1 34 LYS QB 1 35 VAL H 1.800 . 4.360 3.372 2.826 3.773 . 0 0 "[ . 1 . 2]" 1
437 1 34 LYS QG 1 35 VAL H 1.800 . 4.190 3.188 2.526 3.926 . 0 0 "[ . 1 . 2]" 1
438 1 34 LYS H 1 34 LYS QB 1.800 . 3.660 2.351 2.138 2.746 . 0 0 "[ . 1 . 2]" 1
439 1 34 LYS H 1 34 LYS QG 1.800 . 4.860 3.270 1.801 3.995 . 0 0 "[ . 1 . 2]" 1
440 1 34 LYS H 1 35 VAL MG1 1.800 . 5.530 4.472 4.325 4.687 . 0 0 "[ . 1 . 2]" 1
441 1 35 VAL HA 1 35 VAL MG1 1.800 . 3.530 2.275 2.222 2.379 . 0 0 "[ . 1 . 2]" 1
442 1 35 VAL HA 1 36 THR H 1.800 . 3.330 2.164 2.126 2.187 . 0 0 "[ . 1 . 2]" 1
443 1 35 VAL HB 1 36 THR H 1.800 . 3.720 3.236 3.136 3.298 . 0 0 "[ . 1 . 2]" 1
444 1 35 VAL HB 1 47 ILE MD 1.800 . 4.910 2.530 2.086 3.112 . 0 0 "[ . 1 . 2]" 1
445 1 35 VAL HB 1 47 ILE MG 1.800 . 4.310 2.377 2.206 2.617 . 0 0 "[ . 1 . 2]" 1
446 1 35 VAL MG1 1 36 THR H 1.800 . 4.580 3.835 3.740 3.991 . 0 0 "[ . 1 . 2]" 1
447 1 35 VAL MG1 1 47 ILE MD 1.800 . 4.080 2.409 2.092 3.002 . 0 0 "[ . 1 . 2]" 1
448 1 35 VAL MG2 1 36 THR H 1.800 . 5.020 4.051 3.968 4.131 . 0 0 "[ . 1 . 2]" 1
449 1 35 VAL MG2 1 37 ILE MD 1.800 . 4.070 3.241 2.412 3.735 . 0 0 "[ . 1 . 2]" 1
450 1 35 VAL MG2 1 37 ILE QG 1.800 . 4.220 2.858 2.458 3.165 . 0 0 "[ . 1 . 2]" 1
451 1 35 VAL MG2 1 47 ILE MD 1.800 . 5.140 2.823 2.433 3.604 . 0 0 "[ . 1 . 2]" 1
452 1 35 VAL H 1 35 VAL MG1 1.800 . 4.150 2.982 2.810 3.115 . 0 0 "[ . 1 . 2]" 1
453 1 35 VAL H 1 35 VAL MG2 1.800 . 3.540 1.973 1.874 2.078 . 0 0 "[ . 1 . 2]" 1
454 1 36 THR HA 1 36 THR MG 1.800 . 3.710 2.318 2.268 2.426 . 0 0 "[ . 1 . 2]" 1
455 1 36 THR HA 1 37 ILE QG 1.800 . 4.990 3.716 3.562 3.956 . 0 0 "[ . 1 . 2]" 1
456 1 36 THR HA 1 37 ILE H 1.800 . 3.490 2.175 2.134 2.207 . 0 0 "[ . 1 . 2]" 1
457 1 36 THR HB 1 37 ILE H 1.800 . 5.630 3.994 3.197 4.363 . 0 0 "[ . 1 . 2]" 1
458 1 36 THR HB 1 48 GLU H 1.800 . 4.830 3.485 2.694 4.653 . 0 0 "[ . 1 . 2]" 1
459 1 36 THR MG 1 37 ILE H 1.800 . 4.090 2.940 2.570 4.069 . 0 0 "[ . 1 . 2]" 1
460 1 36 THR MG 1 48 GLU QB 1.800 . 5.250 3.815 3.194 4.833 . 0 0 "[ . 1 . 2]" 1
461 1 36 THR H 1 36 THR HB 1.800 . 3.840 2.742 2.345 3.620 . 0 0 "[ . 1 . 2]" 1
462 1 36 THR H 1 36 THR MG 1.800 . 4.890 3.504 2.033 3.786 . 0 0 "[ . 1 . 2]" 1
463 1 37 ILE HA 1 37 ILE MD 1.800 . 5.380 3.746 2.222 3.846 . 0 0 "[ . 1 . 2]" 1
464 1 37 ILE HA 1 38 VAL H 1.800 . 3.310 2.162 2.129 2.189 . 0 0 "[ . 1 . 2]" 1
465 1 37 ILE HA 1 39 GLY H 1.800 . 5.080 3.539 3.382 4.089 . 0 0 "[ . 1 . 2]" 1
466 1 37 ILE HA 1 47 ILE HA 1.800 . 3.900 2.482 2.338 2.821 . 0 0 "[ . 1 . 2]" 1
467 1 37 ILE HA 1 47 ILE MG 1.800 . 3.810 2.704 2.359 3.121 . 0 0 "[ . 1 . 2]" 1
468 1 37 ILE HB 1 37 ILE MD 1.800 . 3.500 2.356 2.251 3.179 . 0 0 "[ . 1 . 2]" 1
469 1 37 ILE MD 1 45 TYR QB 1.800 . 5.150 2.742 2.345 3.105 . 0 0 "[ . 1 . 2]" 1
470 1 37 ILE MD 1 45 TYR QD 1.800 . 4.860 3.206 2.770 3.636 . 0 0 "[ . 1 . 2]" 1
471 1 37 ILE MD 1 45 TYR QE 1.800 . 4.870 4.011 3.455 4.379 . 0 0 "[ . 1 . 2]" 1
472 1 37 ILE MD 1 61 ILE MG 1.800 . 3.580 2.726 2.183 3.250 . 0 0 "[ . 1 . 2]" 1
473 1 37 ILE MD 1 64 ILE MD 1.800 . 3.970 3.452 2.839 3.987 0.017 2 0 "[ . 1 . 2]" 1
474 1 37 ILE MD 1 64 ILE QG 1.800 . 4.860 3.185 2.662 3.770 . 0 0 "[ . 1 . 2]" 1
475 1 37 ILE MD 1 64 ILE MG 1.800 . 3.810 2.917 2.275 3.364 . 0 0 "[ . 1 . 2]" 1
476 1 37 ILE QG 1 45 TYR QB 1.800 . 4.750 2.815 2.379 4.622 . 0 0 "[ . 1 . 2]" 1
477 1 37 ILE HG13 1 47 ILE MG 1.800 . 4.630 2.645 2.299 4.244 . 0 0 "[ . 1 . 2]" 1
478 1 37 ILE HG13 1 61 ILE MG 1.800 . 5.190 4.784 4.298 5.067 . 0 0 "[ . 1 . 2]" 1
479 1 37 ILE HG12 1 47 ILE MG 1.800 . 5.000 2.217 2.058 3.119 . 0 0 "[ . 1 . 2]" 1
480 1 37 ILE HG12 1 61 ILE MG 1.800 . 5.190 4.697 4.247 5.225 0.035 12 0 "[ . 1 . 2]" 1
481 1 37 ILE MD 1 37 ILE MG 1.800 . 3.600 1.860 1.811 1.955 . 0 0 "[ . 1 . 2]" 1
482 1 37 ILE QG 1 37 ILE MG 1.800 . 3.840 2.285 2.252 2.457 . 0 0 "[ . 1 . 2]" 1
483 1 37 ILE MG 1 38 VAL H 1.800 . 4.130 2.659 2.434 2.763 . 0 0 "[ . 1 . 2]" 1
484 1 37 ILE MG 1 39 GLY H 1.800 . 3.660 2.306 1.886 3.709 0.049 5 0 "[ . 1 . 2]" 1
485 1 37 ILE MG 1 40 GLU QB 1.800 . 5.060 3.908 3.492 4.884 . 0 0 "[ . 1 . 2]" 1
486 1 37 ILE MG 1 45 TYR HA 1.800 . 4.980 3.978 3.466 4.762 . 0 0 "[ . 1 . 2]" 1
487 1 37 ILE MG 1 45 TYR QB 1.800 . 3.700 2.897 2.286 3.688 . 0 0 "[ . 1 . 2]" 1
488 1 37 ILE MG 1 45 TYR QD 1.800 . 3.890 2.773 2.248 3.153 . 0 0 "[ . 1 . 2]" 1
489 1 37 ILE MG 1 45 TYR QE 1.800 . 5.010 4.012 3.498 4.476 . 0 0 "[ . 1 . 2]" 1
490 1 37 ILE MG 1 46 LYS H 1.800 . 4.500 3.087 2.663 4.033 . 0 0 "[ . 1 . 2]" 1
491 1 37 ILE H 1 37 ILE HB 1.800 . 3.500 2.483 2.412 2.524 . 0 0 "[ . 1 . 2]" 1
492 1 37 ILE H 1 37 ILE MD 1.800 . 5.120 3.718 3.607 3.904 . 0 0 "[ . 1 . 2]" 1
493 1 37 ILE H 1 37 ILE HG13 1.800 . 4.700 2.758 2.566 3.624 . 0 0 "[ . 1 . 2]" 1
494 1 37 ILE H 1 37 ILE HG12 1.800 . 4.700 3.906 2.538 4.105 . 0 0 "[ . 1 . 2]" 1
495 1 37 ILE H 1 47 ILE MG 1.800 . 5.710 4.151 3.718 4.626 . 0 0 "[ . 1 . 2]" 1
496 1 38 VAL HA 1 38 VAL MG1 1.800 . 3.620 2.330 2.237 2.402 . 0 0 "[ . 1 . 2]" 1
497 1 38 VAL HA 1 38 VAL MG2 1.800 . 4.400 3.205 3.194 3.219 . 0 0 "[ . 1 . 2]" 1
498 1 38 VAL MG1 1 47 ILE HA 1.800 . 5.090 4.161 3.607 4.795 . 0 0 "[ . 1 . 2]" 1
499 1 38 VAL MG1 1 48 GLU QG 1.800 . 5.060 3.641 2.008 5.065 0.005 9 0 "[ . 1 . 2]" 1
500 1 38 VAL MG1 1 48 GLU H 1.800 . 4.980 3.936 3.188 4.664 . 0 0 "[ . 1 . 2]" 1
501 1 38 VAL MG2 1 39 GLY H 1.800 . 5.000 2.695 1.744 3.090 0.056 5 0 "[ . 1 . 2]" 1
502 1 38 VAL MG2 1 46 LYS HB3 1.800 . 4.930 3.227 2.420 3.783 . 0 0 "[ . 1 . 2]" 1
503 1 38 VAL MG2 1 46 LYS HB2 1.800 . 4.930 4.341 3.255 4.978 0.048 8 0 "[ . 1 . 2]" 1
504 1 38 VAL MG2 1 46 LYS QD 1.800 . 4.800 2.880 2.125 4.152 . 0 0 "[ . 1 . 2]" 1
505 1 38 VAL MG2 1 47 ILE HA 1.800 . 4.480 3.417 2.650 3.857 . 0 0 "[ . 1 . 2]" 1
506 1 38 VAL MG2 1 48 GLU QG 1.800 . 5.000 3.913 2.304 5.039 0.039 18 0 "[ . 1 . 2]" 1
507 1 38 VAL MG2 1 48 GLU H 1.800 . 4.930 3.948 3.272 4.698 . 0 0 "[ . 1 . 2]" 1
508 1 38 VAL H 1 38 VAL MG1 1.800 . 4.140 2.749 2.562 3.014 . 0 0 "[ . 1 . 2]" 1
509 1 38 VAL H 1 38 VAL MG2 1.800 . 3.580 1.899 1.782 2.089 0.018 14 0 "[ . 1 . 2]" 1
510 1 38 VAL H 1 39 GLY H 1.800 . 3.730 2.058 1.840 2.134 . 0 0 "[ . 1 . 2]" 1
511 1 38 VAL H 1 46 LYS QB 1.800 . 5.040 3.641 3.264 4.083 . 0 0 "[ . 1 . 2]" 1
512 1 38 VAL H 1 46 LYS H 1.800 . 4.990 4.810 4.091 4.990 . 0 0 "[ . 1 . 2]" 1
513 1 38 VAL H 1 47 ILE HA 1.800 . 4.800 3.257 2.831 3.668 . 0 0 "[ . 1 . 2]" 1
514 1 38 VAL H 1 47 ILE MG 1.800 . 4.740 4.242 3.912 4.638 . 0 0 "[ . 1 . 2]" 1
515 1 39 GLY QA 1 46 LYS QB 1.800 . 4.510 2.953 2.248 3.506 . 0 0 "[ . 1 . 2]" 1
516 1 39 GLY HA3 1 40 GLU H 1.800 . 3.890 2.634 2.510 2.798 . 0 0 "[ . 1 . 2]" 1
517 1 39 GLY HA2 1 40 GLU H 1.800 . 3.890 2.561 2.394 2.685 . 0 0 "[ . 1 . 2]" 1
518 1 39 GLY H 1 46 LYS QD 1.800 . 5.870 4.142 2.640 5.517 . 0 0 "[ . 1 . 2]" 1
519 1 39 GLY H 1 46 LYS H 1.800 . 4.870 3.963 3.319 4.335 . 0 0 "[ . 1 . 2]" 1
520 1 40 GLU HA 1 41 GLU H 1.800 . 3.300 2.318 2.175 2.401 . 0 0 "[ . 1 . 2]" 1
521 1 40 GLU HA 1 45 TYR QD 1.800 . 4.770 2.871 2.335 3.554 . 0 0 "[ . 1 . 2]" 1
522 1 40 GLU HA 1 46 LYS H 1.800 . 3.810 2.484 2.068 2.968 . 0 0 "[ . 1 . 2]" 1
523 1 40 GLU QB 1 45 TYR HA 1.800 . 4.960 3.661 2.622 4.582 . 0 0 "[ . 1 . 2]" 1
524 1 40 GLU QB 1 45 TYR QD 1.800 . 3.860 2.794 2.197 3.903 0.043 9 0 "[ . 1 . 2]" 1
525 1 40 GLU QB 1 46 LYS H 1.800 . 5.530 4.179 3.561 4.980 . 0 0 "[ . 1 . 2]" 1
526 1 40 GLU H 1 40 GLU QG 1.800 . 4.060 2.880 2.014 4.289 0.229 5 0 "[ . 1 . 2]" 1
527 1 41 GLU HA 1 41 GLU QG 1.800 . 3.990 2.458 2.289 2.804 . 0 0 "[ . 1 . 2]" 1
528 1 41 GLU HA 1 42 GLY QA 1.800 . 4.550 3.943 3.914 3.961 . 0 0 "[ . 1 . 2]" 1
529 1 41 GLU HA 1 42 GLY H 1.800 . 3.300 2.181 2.123 2.305 . 0 0 "[ . 1 . 2]" 1
530 1 41 GLU HB3 1 42 GLY H 1.800 . 5.170 4.147 2.729 4.376 . 0 0 "[ . 1 . 2]" 1
531 1 41 GLU HB3 1 55 TYR QE 1.800 . 4.800 3.523 2.627 4.774 . 0 0 "[ . 1 . 2]" 1
532 1 41 GLU HB2 1 42 GLY H 1.800 . 5.170 4.429 3.917 4.636 . 0 0 "[ . 1 . 2]" 1
533 1 41 GLU HB2 1 55 TYR QE 1.800 . 4.380 3.319 2.404 4.447 0.067 7 0 "[ . 1 . 2]" 1
534 1 41 GLU QG 1 42 GLY H 1.800 . 4.510 3.428 2.343 4.598 0.088 17 0 "[ . 1 . 2]" 1
535 1 41 GLU QG 1 55 TYR QE 1.800 . 4.630 3.939 2.257 4.709 0.079 19 0 "[ . 1 . 2]" 1
536 1 41 GLU H 1 41 GLU QB 1.800 . 3.810 2.761 2.483 2.818 . 0 0 "[ . 1 . 2]" 1
537 1 42 GLY QA 1 43 ALA MB 1.800 . 4.770 3.743 3.454 3.799 . 0 0 "[ . 1 . 2]" 1
538 1 42 GLY QA 1 43 ALA H 1.800 . 3.300 2.208 2.121 2.806 . 0 0 "[ . 1 . 2]" 1
539 1 42 GLY QA 1 44 PHE H 1.800 . 5.380 3.312 3.114 4.144 . 0 0 "[ . 1 . 2]" 1
540 1 43 ALA HA 1 58 LYS QD 1.800 . 5.250 2.804 2.246 4.310 . 0 0 "[ . 1 . 2]" 1
541 1 43 ALA HA 1 58 LYS QE 1.800 . 4.640 2.760 2.186 3.760 . 0 0 "[ . 1 . 2]" 1
542 1 43 ALA HA 1 58 LYS HE3 1.800 . 5.350 3.561 2.316 4.671 . 0 0 "[ . 1 . 2]" 1
543 1 43 ALA HA 1 58 LYS HE2 1.800 . 5.350 3.179 2.307 4.397 . 0 0 "[ . 1 . 2]" 1
544 1 43 ALA MB 1 44 PHE QD 1.800 . 4.920 3.198 2.301 3.685 . 0 0 "[ . 1 . 2]" 1
545 1 43 ALA MB 1 44 PHE QE 1.800 . 4.810 3.050 2.366 3.648 . 0 0 "[ . 1 . 2]" 1
546 1 43 ALA MB 1 44 PHE H 1.800 . 4.610 3.487 2.799 3.606 . 0 0 "[ . 1 . 2]" 1
547 1 43 ALA MB 1 57 ALA HA 1.800 . 5.600 4.374 4.062 4.884 . 0 0 "[ . 1 . 2]" 1
548 1 43 ALA MB 1 58 LYS HE3 1.800 . 5.470 3.666 2.243 5.414 . 0 0 "[ . 1 . 2]" 1
549 1 43 ALA MB 1 58 LYS HE2 1.800 . 5.470 3.468 2.130 5.353 . 0 0 "[ . 1 . 2]" 1
550 1 43 ALA H 1 43 ALA MB 1.800 . 3.470 2.357 2.168 3.021 . 0 0 "[ . 1 . 2]" 1
551 1 43 ALA H 1 44 PHE QD 1.800 . 4.380 3.052 2.539 4.539 0.159 7 0 "[ . 1 . 2]" 1
552 1 43 ALA H 1 44 PHE QE 1.800 . 6.000 4.117 3.296 6.041 0.041 7 0 "[ . 1 . 2]" 1
553 1 43 ALA H 1 44 PHE H 1.800 . 4.110 2.728 2.034 2.944 . 0 0 "[ . 1 . 2]" 1
554 1 44 PHE HA 1 44 PHE QD 1.800 . 4.990 2.895 2.724 3.018 . 0 0 "[ . 1 . 2]" 1
555 1 44 PHE HA 1 45 TYR H 1.800 . 3.440 2.260 2.176 2.365 . 0 0 "[ . 1 . 2]" 1
556 1 44 PHE HA 1 57 ALA HA 1.800 . 3.620 2.463 2.286 2.843 . 0 0 "[ . 1 . 2]" 1
557 1 44 PHE HA 1 57 ALA MB 1.800 . 5.370 4.120 3.958 4.450 . 0 0 "[ . 1 . 2]" 1
558 1 44 PHE HA 1 58 LYS QG 1.800 . 4.800 3.855 2.811 4.545 . 0 0 "[ . 1 . 2]" 1
559 1 44 PHE HA 1 58 LYS H 1.800 . 3.890 3.081 2.651 3.422 . 0 0 "[ . 1 . 2]" 1
560 1 44 PHE QB 1 56 VAL MG2 1.800 . 5.430 4.378 4.060 4.646 . 0 0 "[ . 1 . 2]" 1
561 1 44 PHE QB 1 56 VAL H 1.800 . 4.700 3.175 2.858 3.556 . 0 0 "[ . 1 . 2]" 1
562 1 44 PHE HB3 1 45 TYR H 1.800 . 4.860 2.895 2.568 3.260 . 0 0 "[ . 1 . 2]" 1
563 1 44 PHE HB3 1 55 TYR HB3 1.800 . 5.490 2.727 2.441 3.067 . 0 0 "[ . 1 . 2]" 1
564 1 44 PHE HB3 1 55 TYR HB2 1.800 . 5.490 4.408 4.068 4.740 . 0 0 "[ . 1 . 2]" 1
565 1 44 PHE HB3 1 55 TYR QD 1.800 . 4.640 3.275 2.593 3.765 . 0 0 "[ . 1 . 2]" 1
566 1 44 PHE HB2 1 45 TYR H 1.800 . 4.860 3.947 3.671 4.172 . 0 0 "[ . 1 . 2]" 1
567 1 44 PHE HB2 1 55 TYR HB3 1.800 . 5.600 3.761 3.449 4.122 . 0 0 "[ . 1 . 2]" 1
568 1 44 PHE HB2 1 55 TYR HB2 1.800 . 5.600 5.405 5.075 5.656 0.056 20 0 "[ . 1 . 2]" 1
569 1 44 PHE HB2 1 55 TYR QD 1.800 . 4.640 3.486 2.713 4.127 . 0 0 "[ . 1 . 2]" 1
570 1 44 PHE QD 1 55 TYR QB 1.800 . 4.650 3.620 3.224 4.093 . 0 0 "[ . 1 . 2]" 1
571 1 44 PHE QD 1 56 VAL HA 1.800 . 5.490 3.435 3.134 3.880 . 0 0 "[ . 1 . 2]" 1
572 1 44 PHE QD 1 56 VAL H 1.800 . 4.940 3.835 3.415 4.344 . 0 0 "[ . 1 . 2]" 1
573 1 44 PHE QD 1 57 ALA HA 1.800 . 4.580 2.472 2.293 2.733 . 0 0 "[ . 1 . 2]" 1
574 1 44 PHE QD 1 57 ALA H 1.800 . 5.030 3.167 2.854 3.488 . 0 0 "[ . 1 . 2]" 1
575 1 44 PHE QE 1 56 VAL HA 1.800 . 5.410 4.724 4.270 5.415 0.005 4 0 "[ . 1 . 2]" 1
576 1 44 PHE QE 1 57 ALA MB 1.800 . 5.170 2.453 2.269 2.847 . 0 0 "[ . 1 . 2]" 1
577 1 44 PHE QE 1 57 ALA H 1.800 . 5.390 3.800 3.217 4.542 . 0 0 "[ . 1 . 2]" 1
578 1 44 PHE H 1 44 PHE QB 1.800 . 3.900 2.629 2.431 2.767 . 0 0 "[ . 1 . 2]" 1
579 1 44 PHE H 1 44 PHE QD 1.800 . 4.080 2.803 2.483 3.116 . 0 0 "[ . 1 . 2]" 1
580 1 44 PHE H 1 58 LYS QE 1.800 . 5.600 4.931 2.803 5.740 0.140 15 0 "[ . 1 . 2]" 1
581 1 45 TYR HA 1 45 TYR QD 1.800 . 3.760 2.327 2.281 2.450 . 0 0 "[ . 1 . 2]" 1
582 1 45 TYR HA 1 46 LYS H 1.800 . 3.690 2.220 2.162 2.284 . 0 0 "[ . 1 . 2]" 1
583 1 45 TYR QB 1 46 LYS H 1.800 . 4.050 2.950 2.769 3.106 . 0 0 "[ . 1 . 2]" 1
584 1 45 TYR QB 1 56 VAL MG2 1.800 . 3.660 2.418 2.177 2.665 . 0 0 "[ . 1 . 2]" 1
585 1 45 TYR QB 1 61 ILE MG 1.800 . 5.800 3.657 3.185 4.055 . 0 0 "[ . 1 . 2]" 1
586 1 45 TYR HB3 1 47 ILE MG 1.800 . 4.440 3.181 2.900 3.493 . 0 0 "[ . 1 . 2]" 1
587 1 45 TYR HB2 1 47 ILE MG 1.800 . 4.440 3.706 3.373 4.057 . 0 0 "[ . 1 . 2]" 1
588 1 45 TYR QD 1 46 LYS H 1.800 . 4.740 3.227 2.892 3.403 . 0 0 "[ . 1 . 2]" 1
589 1 45 TYR QD 1 56 VAL MG2 1.800 . 4.580 3.479 2.980 3.896 . 0 0 "[ . 1 . 2]" 1
590 1 45 TYR QD 1 58 LYS HA 1.800 . 3.850 2.483 2.308 2.787 . 0 0 "[ . 1 . 2]" 1
591 1 45 TYR QD 1 58 LYS QG 1.800 . 4.960 4.018 2.358 4.976 0.016 18 0 "[ . 1 . 2]" 1
592 1 45 TYR QD 1 61 ILE HB 1.800 . 4.440 2.928 2.340 3.579 . 0 0 "[ . 1 . 2]" 1
593 1 45 TYR QD 1 61 ILE HG13 1.800 . 4.720 3.230 2.323 4.751 0.031 18 0 "[ . 1 . 2]" 1
594 1 45 TYR QD 1 61 ILE HG12 1.800 . 4.720 3.463 2.341 3.978 . 0 0 "[ . 1 . 2]" 1
595 1 45 TYR QD 1 61 ILE MG 1.800 . 4.740 3.096 2.603 3.435 . 0 0 "[ . 1 . 2]" 1
596 1 45 TYR QE 1 58 LYS HA 1.800 . 3.940 2.832 2.337 3.604 . 0 0 "[ . 1 . 2]" 1
597 1 45 TYR QE 1 58 LYS QB 1.800 . 4.730 2.425 2.075 3.492 . 0 0 "[ . 1 . 2]" 1
598 1 45 TYR QE 1 58 LYS QE 1.800 . 5.870 4.385 2.843 5.797 . 0 0 "[ . 1 . 2]" 1
599 1 45 TYR QE 1 58 LYS QG 1.800 . 4.650 3.539 2.321 4.237 . 0 0 "[ . 1 . 2]" 1
600 1 45 TYR QE 1 61 ILE HB 1.800 . 3.800 3.399 2.842 3.860 0.060 10 0 "[ . 1 . 2]" 1
601 1 45 TYR QE 1 61 ILE QG 1.800 . 5.480 4.330 3.744 5.104 . 0 0 "[ . 1 . 2]" 1
602 1 45 TYR QE 1 61 ILE MG 1.800 . 5.080 3.464 2.858 4.079 . 0 0 "[ . 1 . 2]" 1
603 1 45 TYR QE 1 61 ILE H 1.800 . 5.800 5.271 4.444 5.831 0.031 12 0 "[ . 1 . 2]" 1
604 1 45 TYR QE 1 64 ILE MD 1.800 . 3.810 2.743 2.169 3.166 . 0 0 "[ . 1 . 2]" 1
605 1 45 TYR H 1 45 TYR QB 1.800 . 3.640 2.347 2.270 2.451 . 0 0 "[ . 1 . 2]" 1
606 1 45 TYR H 1 45 TYR QD 1.800 . 4.700 3.319 3.043 3.552 . 0 0 "[ . 1 . 2]" 1
607 1 45 TYR H 1 56 VAL MG2 1.800 . 4.530 2.916 2.678 3.154 . 0 0 "[ . 1 . 2]" 1
608 1 45 TYR H 1 56 VAL H 1.800 . 4.260 2.836 2.537 3.072 . 0 0 "[ . 1 . 2]" 1
609 1 45 TYR H 1 57 ALA HA 1.800 . 5.150 3.870 3.666 4.177 . 0 0 "[ . 1 . 2]" 1
610 1 45 TYR H 1 58 LYS HA 1.800 . 5.640 4.688 4.346 4.870 . 0 0 "[ . 1 . 2]" 1
611 1 45 TYR H 1 58 LYS QG 1.800 . 5.700 5.019 3.684 5.776 0.076 18 0 "[ . 1 . 2]" 1
612 1 45 TYR H 1 58 LYS H 1.800 . 4.970 4.435 4.003 4.700 . 0 0 "[ . 1 . 2]" 1
613 1 46 LYS HA 1 46 LYS QG 1.800 . 3.830 2.340 2.244 2.391 . 0 0 "[ . 1 . 2]" 1
614 1 46 LYS HA 1 47 ILE QG 1.800 . 5.090 3.588 3.491 3.708 . 0 0 "[ . 1 . 2]" 1
615 1 46 LYS HA 1 47 ILE H 1.800 . 3.580 2.195 2.140 2.239 . 0 0 "[ . 1 . 2]" 1
616 1 46 LYS HA 1 55 TYR HA 1.800 . 4.130 2.906 2.754 3.193 . 0 0 "[ . 1 . 2]" 1
617 1 46 LYS HA 1 55 TYR QD 1.800 . 5.060 3.279 2.794 4.102 . 0 0 "[ . 1 . 2]" 1
618 1 46 LYS HA 1 55 TYR QE 1.800 . 5.690 3.742 3.171 4.618 . 0 0 "[ . 1 . 2]" 1
619 1 46 LYS HA 1 56 VAL H 1.800 . 5.310 4.215 3.953 4.414 . 0 0 "[ . 1 . 2]" 1
620 1 46 LYS QB 1 46 LYS QE 1.800 . 4.860 3.112 2.133 3.652 . 0 0 "[ . 1 . 2]" 1
621 1 46 LYS QB 1 55 TYR QD 1.800 . 5.150 3.769 3.240 4.886 . 0 0 "[ . 1 . 2]" 1
622 1 46 LYS HB3 1 55 TYR QE 1.800 . 4.800 4.418 3.983 4.811 0.011 10 0 "[ . 1 . 2]" 1
623 1 46 LYS HB2 1 55 TYR QE 1.800 . 4.800 3.039 2.337 4.964 0.164 17 0 "[ . 1 . 2]" 1
624 1 46 LYS QE 1 53 HIS QB 1.800 . 4.430 2.655 1.942 4.084 . 0 0 "[ . 1 . 2]" 1
625 1 46 LYS QE 1 55 TYR QE 1.800 . 5.220 3.595 2.415 4.680 . 0 0 "[ . 1 . 2]" 1
626 1 46 LYS HE3 1 53 HIS QB 1.800 . 5.130 3.318 2.083 4.804 . 0 0 "[ . 1 . 2]" 1
627 1 46 LYS HE2 1 53 HIS QB 1.800 . 5.130 3.109 2.261 5.159 0.029 17 0 "[ . 1 . 2]" 1
628 1 46 LYS QE 1 46 LYS QG 1.800 . 3.670 2.233 2.124 2.500 . 0 0 "[ . 1 . 2]" 1
629 1 46 LYS QG 1 47 ILE H 1.800 . 4.920 2.939 2.476 3.824 . 0 0 "[ . 1 . 2]" 1
630 1 46 LYS QG 1 53 HIS QB 1.800 . 4.440 2.757 2.078 3.613 . 0 0 "[ . 1 . 2]" 1
631 1 46 LYS QG 1 55 TYR QE 1.800 . 4.530 2.895 2.235 3.504 . 0 0 "[ . 1 . 2]" 1
632 1 46 LYS H 1 46 LYS HB3 1.800 . 4.110 2.691 2.480 3.642 . 0 0 "[ . 1 . 2]" 1
633 1 46 LYS H 1 46 LYS HB2 1.800 . 4.110 2.667 2.244 2.822 . 0 0 "[ . 1 . 2]" 1
634 1 46 LYS H 1 46 LYS QG 1.800 . 5.730 3.817 2.677 4.048 . 0 0 "[ . 1 . 2]" 1
635 1 47 ILE HA 1 47 ILE MG 1.800 . 3.670 2.330 2.288 2.371 . 0 0 "[ . 1 . 2]" 1
636 1 47 ILE HA 1 48 GLU H 1.800 . 3.500 2.309 2.265 2.380 . 0 0 "[ . 1 . 2]" 1
637 1 47 ILE HB 1 47 ILE MD 1.800 . 3.550 2.289 2.250 2.337 . 0 0 "[ . 1 . 2]" 1
638 1 47 ILE HB 1 48 GLU H 1.800 . 4.050 2.672 2.444 2.838 . 0 0 "[ . 1 . 2]" 1
639 1 47 ILE MD 1 49 TYR HA 1.800 . 5.500 4.414 4.002 4.907 . 0 0 "[ . 1 . 2]" 1
640 1 47 ILE MD 1 49 TYR HB3 1.800 . 5.400 4.914 4.146 5.419 0.019 12 0 "[ . 1 . 2]" 1
641 1 47 ILE MD 1 49 TYR HB2 1.800 . 5.260 3.537 3.017 3.993 . 0 0 "[ . 1 . 2]" 1
642 1 47 ILE MD 1 49 TYR QD 1.800 . 4.720 3.872 3.377 4.442 . 0 0 "[ . 1 . 2]" 1
643 1 47 ILE MD 1 56 VAL MG1 1.800 . 3.920 2.409 2.019 2.845 . 0 0 "[ . 1 . 2]" 1
644 1 47 ILE MD 1 56 VAL MG2 1.800 . 4.630 2.677 2.078 3.119 . 0 0 "[ . 1 . 2]" 1
645 1 47 ILE QG 1 48 GLU H 1.800 . 5.480 3.844 3.625 3.970 . 0 0 "[ . 1 . 2]" 1
646 1 47 ILE QG 1 49 TYR HB3 1.800 . 5.970 4.411 3.728 4.915 . 0 0 "[ . 1 . 2]" 1
647 1 47 ILE QG 1 49 TYR HB2 1.800 . 5.970 3.270 2.696 3.531 . 0 0 "[ . 1 . 2]" 1
648 1 47 ILE QG 1 49 TYR H 1.800 . 5.600 3.901 3.504 4.513 . 0 0 "[ . 1 . 2]" 1
649 1 47 ILE QG 1 55 TYR HA 1.800 . 5.420 3.356 2.878 4.131 . 0 0 "[ . 1 . 2]" 1
650 1 47 ILE HG13 1 54 GLY H 1.800 . 4.860 2.769 2.373 3.351 . 0 0 "[ . 1 . 2]" 1
651 1 47 ILE HG12 1 54 GLY H 1.800 . 4.860 3.930 3.222 4.549 . 0 0 "[ . 1 . 2]" 1
652 1 47 ILE MG 1 48 GLU H 1.800 . 4.590 3.691 3.587 3.815 . 0 0 "[ . 1 . 2]" 1
653 1 47 ILE MG 1 56 VAL MG1 1.800 . 4.630 3.707 3.135 4.401 . 0 0 "[ . 1 . 2]" 1
654 1 47 ILE MG 1 56 VAL MG2 1.800 . 3.300 2.672 2.284 3.032 . 0 0 "[ . 1 . 2]" 1
655 1 47 ILE MG 1 56 VAL H 1.800 . 4.830 4.328 3.977 4.747 . 0 0 "[ . 1 . 2]" 1
656 1 47 ILE H 1 47 ILE MD 1.800 . 5.440 3.859 3.813 3.916 . 0 0 "[ . 1 . 2]" 1
657 1 47 ILE H 1 47 ILE HG13 1.800 . 4.280 2.726 2.566 2.890 . 0 0 "[ . 1 . 2]" 1
658 1 47 ILE H 1 47 ILE HG12 1.800 . 4.280 2.225 2.152 2.278 . 0 0 "[ . 1 . 2]" 1
659 1 47 ILE H 1 54 GLY H 1.800 . 4.280 3.499 2.979 4.019 . 0 0 "[ . 1 . 2]" 1
660 1 47 ILE H 1 55 TYR HA 1.800 . 4.760 3.528 3.175 4.176 . 0 0 "[ . 1 . 2]" 1
661 1 48 GLU HA 1 48 GLU QG 1.800 . 3.950 2.553 2.304 3.331 . 0 0 "[ . 1 . 2]" 1
662 1 48 GLU HA 1 49 TYR H 1.800 . 3.300 2.227 2.145 2.284 . 0 0 "[ . 1 . 2]" 1
663 1 48 GLU HA 1 53 HIS HA 1.800 . 4.800 2.988 2.402 3.477 . 0 0 "[ . 1 . 2]" 1
664 1 48 GLU HA 1 53 HIS HD1 1.800 . 4.500 3.017 2.249 4.240 . 0 0 "[ . 1 . 2]" 1
665 1 48 GLU HB3 1 49 TYR H 1.800 . 5.260 4.200 3.575 4.479 . 0 0 "[ . 1 . 2]" 1
666 1 48 GLU HB2 1 49 TYR H 1.800 . 5.260 4.437 3.558 4.586 . 0 0 "[ . 1 . 2]" 1
667 1 48 GLU QG 1 53 HIS HD1 1.800 . 4.630 3.893 2.403 4.656 0.026 10 0 "[ . 1 . 2]" 1
668 1 48 GLU H 1 48 GLU QG 1.800 . 4.300 3.246 1.727 4.064 0.073 16 0 "[ . 1 . 2]" 1
669 1 49 TYR HA 1 49 TYR QD 1.800 . 3.810 2.600 2.319 2.747 . 0 0 "[ . 1 . 2]" 1
670 1 49 TYR HA 1 50 LYS HA 1.800 . 5.350 4.405 4.349 4.493 . 0 0 "[ . 1 . 2]" 1
671 1 49 TYR HA 1 50 LYS H 1.800 . 3.300 2.205 2.118 2.405 . 0 0 "[ . 1 . 2]" 1
672 1 49 TYR HB3 1 50 LYS H 1.800 . 5.400 4.143 3.669 4.396 . 0 0 "[ . 1 . 2]" 1
673 1 49 TYR HB3 1 54 GLY H 1.800 . 5.530 3.037 2.680 3.607 . 0 0 "[ . 1 . 2]" 1
674 1 49 TYR HB2 1 50 LYS H 1.800 . 5.400 4.211 3.887 4.548 . 0 0 "[ . 1 . 2]" 1
675 1 49 TYR HB2 1 54 GLY H 1.800 . 5.530 2.969 2.135 4.272 . 0 0 "[ . 1 . 2]" 1
676 1 49 TYR QD 1 50 LYS H 1.800 . 4.870 3.395 2.919 3.839 . 0 0 "[ . 1 . 2]" 1
677 1 49 TYR H 1 50 LYS H 1.800 . 5.320 4.449 4.148 4.635 . 0 0 "[ . 1 . 2]" 1
678 1 49 TYR H 1 52 SER H 1.800 . 4.600 4.116 3.207 4.647 0.047 8 0 "[ . 1 . 2]" 1
679 1 49 TYR H 1 53 HIS HA 1.800 . 3.890 2.609 1.801 3.693 . 0 0 "[ . 1 . 2]" 1
680 1 50 LYS HA 1 50 LYS QD 1.800 . 5.200 3.611 2.143 4.400 . 0 0 "[ . 1 . 2]" 1
681 1 50 LYS HA 1 50 LYS QG 1.800 . 3.720 2.464 2.221 3.319 . 0 0 "[ . 1 . 2]" 1
682 1 50 LYS QB 1 51 GLY H 1.800 . 4.600 3.202 1.738 3.985 0.062 18 0 "[ . 1 . 2]" 1
683 1 50 LYS QG 1 51 GLY H 1.800 . 5.620 3.966 2.289 4.811 . 0 0 "[ . 1 . 2]" 1
684 1 50 LYS H 1 50 LYS QG 1.800 . 4.600 2.868 1.811 4.144 . 0 0 "[ . 1 . 2]" 1
685 1 50 LYS H 1 51 GLY H 1.800 . 4.500 3.864 2.758 4.520 0.020 16 0 "[ . 1 . 2]" 1
686 1 51 GLY H 1 52 SER H 1.800 . 3.960 2.596 1.745 3.380 0.055 7 0 "[ . 1 . 2]" 1
687 1 52 SER QB 1 53 HIS H 1.800 . 3.840 2.318 1.735 3.227 0.065 20 0 "[ . 1 . 2]" 1
688 1 52 SER H 1 52 SER QB 1.800 . 3.750 2.814 2.262 3.297 . 0 0 "[ . 1 . 2]" 1
689 1 53 HIS HA 1 53 HIS HD1 1.800 . 4.660 2.731 2.301 3.191 . 0 0 "[ . 1 . 2]" 1
690 1 53 HIS HA 1 54 GLY H 1.800 . 3.620 2.179 2.104 2.268 . 0 0 "[ . 1 . 2]" 1
691 1 53 HIS QB 1 54 GLY H 1.800 . 4.020 3.474 3.319 3.738 . 0 0 "[ . 1 . 2]" 1
692 1 53 HIS QB 1 55 TYR QE 1.800 . 5.390 3.073 2.221 3.948 . 0 0 "[ . 1 . 2]" 1
693 1 54 GLY QA 1 55 TYR QD 1.800 . 4.660 3.145 2.963 3.502 . 0 0 "[ . 1 . 2]" 1
694 1 55 TYR HA 1 55 TYR QD 1.800 . 4.740 2.904 2.617 3.016 . 0 0 "[ . 1 . 2]" 1
695 1 55 TYR HA 1 56 VAL MG1 1.800 . 5.470 3.706 3.543 3.983 . 0 0 "[ . 1 . 2]" 1
696 1 55 TYR HA 1 56 VAL MG2 1.800 . 5.400 3.391 3.247 3.480 . 0 0 "[ . 1 . 2]" 1
697 1 55 TYR HA 1 56 VAL H 1.800 . 3.410 2.212 2.150 2.257 . 0 0 "[ . 1 . 2]" 1
698 1 55 TYR QB 1 56 VAL H 1.800 . 4.500 3.038 2.855 3.164 . 0 0 "[ . 1 . 2]" 1
699 1 55 TYR H 1 55 TYR QD 1.800 . 4.280 2.701 2.534 3.157 . 0 0 "[ . 1 . 2]" 1
700 1 55 TYR H 1 56 VAL MG1 1.800 . 5.630 3.835 3.599 4.064 . 0 0 "[ . 1 . 2]" 1
701 1 56 VAL HA 1 56 VAL MG1 1.800 . 3.590 2.290 2.239 2.344 . 0 0 "[ . 1 . 2]" 1
702 1 56 VAL HA 1 56 VAL MG2 1.800 . 4.500 3.194 3.169 3.206 . 0 0 "[ . 1 . 2]" 1
703 1 56 VAL HA 1 57 ALA MB 1.800 . 5.130 4.034 3.982 4.068 . 0 0 "[ . 1 . 2]" 1
704 1 56 VAL HA 1 57 ALA H 1.800 . 3.380 2.266 2.195 2.332 . 0 0 "[ . 1 . 2]" 1
705 1 56 VAL HB 1 57 ALA H 1.800 . 4.020 2.859 2.629 3.144 . 0 0 "[ . 1 . 2]" 1
706 1 56 VAL HB 1 61 ILE MD 1.800 . 5.010 2.990 2.245 3.534 . 0 0 "[ . 1 . 2]" 1
707 1 56 VAL MG1 1 57 ALA H 1.800 . 5.090 3.732 3.461 3.828 . 0 0 "[ . 1 . 2]" 1
708 1 56 VAL MG2 1 57 ALA H 1.800 . 4.520 3.827 3.651 4.033 . 0 0 "[ . 1 . 2]" 1
709 1 56 VAL MG2 1 61 ILE MD 1.800 . 3.650 2.209 2.033 2.538 . 0 0 "[ . 1 . 2]" 1
710 1 56 VAL MG2 1 61 ILE HG13 1.800 . 4.430 2.807 2.114 3.938 . 0 0 "[ . 1 . 2]" 1
711 1 56 VAL MG2 1 61 ILE HG12 1.800 . 4.430 2.868 2.073 3.573 . 0 0 "[ . 1 . 2]" 1
712 1 56 VAL H 1 56 VAL MG2 1.800 . 3.560 2.068 2.000 2.169 . 0 0 "[ . 1 . 2]" 1
713 1 57 ALA HA 1 58 LYS QG 1.800 . 5.380 3.787 3.455 3.952 . 0 0 "[ . 1 . 2]" 1
714 1 57 ALA HA 1 58 LYS H 1.800 . 3.300 2.258 2.213 2.297 . 0 0 "[ . 1 . 2]" 1
715 1 57 ALA HA 1 59 GLU H 1.800 . 5.420 3.869 3.656 4.224 . 0 0 "[ . 1 . 2]" 1
716 1 57 ALA MB 1 58 LYS H 1.800 . 4.160 2.797 2.619 2.931 . 0 0 "[ . 1 . 2]" 1
717 1 57 ALA MB 1 59 GLU H 1.800 . 4.540 2.475 2.209 2.848 . 0 0 "[ . 1 . 2]" 1
718 1 57 ALA MB 1 60 TYR QD 1.800 . 4.000 2.302 2.248 2.376 . 0 0 "[ . 1 . 2]" 1
719 1 57 ALA MB 1 60 TYR QE 1.800 . 3.840 2.660 2.132 3.200 . 0 0 "[ . 1 . 2]" 1
720 1 57 ALA MB 1 60 TYR H 1.800 . 4.190 3.049 2.766 3.480 . 0 0 "[ . 1 . 2]" 1
721 1 57 ALA H 1 57 ALA MB 1.800 . 3.470 2.210 2.153 2.259 . 0 0 "[ . 1 . 2]" 1
722 1 57 ALA H 1 60 TYR QD 1.800 . 5.170 2.856 2.216 3.489 . 0 0 "[ . 1 . 2]" 1
723 1 58 LYS HA 1 58 LYS QG 1.800 . 3.880 2.984 2.308 3.338 . 0 0 "[ . 1 . 2]" 1
724 1 58 LYS HA 1 60 TYR H 1.800 . 5.200 3.930 3.277 4.095 . 0 0 "[ . 1 . 2]" 1
725 1 58 LYS HA 1 61 ILE HB 1.800 . 4.800 2.390 2.315 2.605 . 0 0 "[ . 1 . 2]" 1
726 1 58 LYS HA 1 61 ILE QG 1.800 . 5.330 3.169 2.297 4.266 . 0 0 "[ . 1 . 2]" 1
727 1 58 LYS HA 1 61 ILE H 1.800 . 5.160 3.146 2.762 3.375 . 0 0 "[ . 1 . 2]" 1
728 1 58 LYS QB 1 58 LYS QE 1.800 . 5.170 2.880 2.024 3.645 . 0 0 "[ . 1 . 2]" 1
729 1 58 LYS QB 1 59 GLU H 1.800 . 4.030 3.368 2.552 3.757 . 0 0 "[ . 1 . 2]" 1
730 1 58 LYS QB 1 60 TYR H 1.800 . 5.350 4.916 4.137 5.191 . 0 0 "[ . 1 . 2]" 1
731 1 58 LYS H 1 58 LYS QB 1.800 . 3.730 2.532 2.352 2.659 . 0 0 "[ . 1 . 2]" 1
732 1 58 LYS H 1 58 LYS QG 1.800 . 3.520 1.968 1.776 2.257 0.024 19 0 "[ . 1 . 2]" 1
733 1 58 LYS H 1 59 GLU H 1.800 . 4.320 2.621 2.522 2.689 . 0 0 "[ . 1 . 2]" 1
734 1 59 GLU HA 1 61 ILE H 1.800 . 5.310 3.983 3.698 4.606 . 0 0 "[ . 1 . 2]" 1
735 1 59 GLU QG 1 60 TYR H 1.800 . 4.550 3.734 1.961 4.527 . 0 0 "[ . 1 . 2]" 1
736 1 59 GLU H 1 59 GLU QB 1.800 . 3.620 2.362 2.252 2.492 . 0 0 "[ . 1 . 2]" 1
737 1 59 GLU H 1 59 GLU QG 1.800 . 4.100 2.862 2.042 4.066 . 0 0 "[ . 1 . 2]" 1
738 1 59 GLU H 1 60 TYR H 1.800 . 4.110 2.698 2.554 2.884 . 0 0 "[ . 1 . 2]" 1
739 1 60 TYR HA 1 60 TYR QD 1.800 . 3.990 2.403 2.280 2.727 . 0 0 "[ . 1 . 2]" 1
740 1 60 TYR H 1 60 TYR QB 1.800 . 3.510 2.493 2.417 2.632 . 0 0 "[ . 1 . 2]" 1
741 1 60 TYR H 1 61 ILE HB 1.800 . 5.380 4.451 4.110 4.656 . 0 0 "[ . 1 . 2]" 1
742 1 60 TYR H 1 61 ILE MD 1.800 . 5.580 3.963 2.907 5.079 . 0 0 "[ . 1 . 2]" 1
743 1 60 TYR H 1 61 ILE QG 1.800 . 5.090 3.928 3.260 5.146 0.056 18 0 "[ . 1 . 2]" 1
744 1 60 TYR H 1 61 ILE H 1.800 . 3.550 2.329 2.005 2.468 . 0 0 "[ . 1 . 2]" 1
745 1 61 ILE HA 1 61 ILE MD 1.800 . 4.270 2.186 2.065 2.595 . 0 0 "[ . 1 . 2]" 1
746 1 61 ILE HA 1 62 LYS H 1.800 . 3.430 2.161 2.115 2.198 . 0 0 "[ . 1 . 2]" 1
747 1 61 ILE HB 1 62 LYS H 1.800 . 4.800 4.221 4.089 4.397 . 0 0 "[ . 1 . 2]" 1
748 1 61 ILE HB 1 64 ILE MD 1.800 . 4.820 3.788 3.030 4.722 . 0 0 "[ . 1 . 2]" 1
749 1 61 ILE QG 1 61 ILE MG 1.800 . 4.130 2.209 2.093 2.459 . 0 0 "[ . 1 . 2]" 1
750 1 61 ILE MG 1 62 LYS H 1.800 . 4.150 2.666 2.532 2.849 . 0 0 "[ . 1 . 2]" 1
751 1 61 ILE MG 1 64 ILE QG 1.800 . 3.670 2.262 1.924 2.711 . 0 0 "[ . 1 . 2]" 1
752 1 61 ILE H 1 61 ILE HB 1.800 . 3.560 2.526 2.338 2.635 . 0 0 "[ . 1 . 2]" 1
753 1 61 ILE H 1 61 ILE MD 1.800 . 4.980 3.042 1.974 3.971 . 0 0 "[ . 1 . 2]" 1
754 1 61 ILE H 1 61 ILE HG13 1.800 . 4.700 4.016 3.730 4.289 . 0 0 "[ . 1 . 2]" 1
755 1 61 ILE H 1 61 ILE HG12 1.800 . 4.700 3.031 2.467 4.251 . 0 0 "[ . 1 . 2]" 1
756 1 61 ILE H 1 61 ILE MG 1.800 . 4.800 3.809 3.667 3.870 . 0 0 "[ . 1 . 2]" 1
757 1 62 LYS HA 1 63 ASP H 1.800 . 3.660 2.424 2.211 2.735 . 0 0 "[ . 1 . 2]" 1
758 1 62 LYS HA 1 64 ILE MD 1.800 . 5.560 4.074 3.541 4.991 . 0 0 "[ . 1 . 2]" 1
759 1 62 LYS HA 1 64 ILE H 1.800 . 5.590 4.081 3.512 4.673 . 0 0 "[ . 1 . 2]" 1
760 1 62 LYS QB 1 62 LYS QD 1.800 . 3.470 2.164 2.119 2.262 . 0 0 "[ . 1 . 2]" 1
761 1 62 LYS QB 1 63 ASP H 1.800 . 3.820 2.776 1.898 3.608 . 0 0 "[ . 1 . 2]" 1
762 1 62 LYS QD 1 63 ASP QB 1.800 . 5.100 4.410 3.983 4.963 . 0 0 "[ . 1 . 2]" 1
763 1 62 LYS QG 1 63 ASP HB3 1.800 . 4.840 3.981 3.137 4.503 . 0 0 "[ . 1 . 2]" 1
764 1 62 LYS QG 1 63 ASP HB2 1.800 . 4.840 2.790 2.476 3.208 . 0 0 "[ . 1 . 2]" 1
765 1 62 LYS QG 1 63 ASP H 1.800 . 5.410 2.636 1.990 3.412 . 0 0 "[ . 1 . 2]" 1
766 1 62 LYS H 1 62 LYS QG 1.800 . 4.400 3.109 2.211 4.126 . 0 0 "[ . 1 . 2]" 1
767 1 63 ASP HA 1 64 ILE H 1.800 . 3.930 2.918 2.395 3.572 . 0 0 "[ . 1 . 2]" 1
768 1 63 ASP HB3 1 64 ILE H 1.800 . 5.680 3.771 1.892 4.453 . 0 0 "[ . 1 . 2]" 1
769 1 63 ASP HB2 1 64 ILE H 1.800 . 5.680 3.963 2.029 4.679 . 0 0 "[ . 1 . 2]" 1
770 1 63 ASP H 1 64 ILE H 1.800 . 4.370 3.167 2.689 3.999 . 0 0 "[ . 1 . 2]" 1
771 1 64 ILE HA 1 64 ILE MD 1.800 . 4.500 3.828 3.814 3.857 . 0 0 "[ . 1 . 2]" 1
772 1 64 ILE HG13 1 64 ILE MG 1.800 . 4.230 3.192 3.188 3.204 . 0 0 "[ . 1 . 2]" 1
773 1 64 ILE HG12 1 64 ILE MG 1.800 . 4.230 2.330 2.255 2.353 . 0 0 "[ . 1 . 2]" 1
774 1 64 ILE MG 1 65 LYS HA 1.800 . 5.080 3.709 3.472 3.974 . 0 0 "[ . 1 . 2]" 1
775 1 64 ILE MG 1 65 LYS H 1.800 . 4.320 2.956 2.086 3.934 . 0 0 "[ . 1 . 2]" 1
776 1 64 ILE MG 1 66 ASP H 1.800 . 5.650 4.723 3.674 5.498 . 0 0 "[ . 1 . 2]" 1
777 1 64 ILE H 1 64 ILE HB 1.800 . 3.700 2.785 2.419 3.716 0.016 7 0 "[ . 1 . 2]" 1
778 1 64 ILE H 1 64 ILE MD 1.800 . 5.140 3.690 3.434 4.291 . 0 0 "[ . 1 . 2]" 1
779 1 64 ILE H 1 64 ILE QG 1.800 . 3.640 2.349 2.167 2.615 . 0 0 "[ . 1 . 2]" 1
780 1 64 ILE H 1 64 ILE MG 1.800 . 4.820 3.843 3.757 4.046 . 0 0 "[ . 1 . 2]" 1
781 1 64 ILE H 1 65 LYS HA 1.800 . 5.510 5.461 5.334 5.587 0.077 20 0 "[ . 1 . 2]" 1
782 1 65 LYS HA 1 65 LYS QD 1.800 . 5.310 3.757 2.161 4.414 . 0 0 "[ . 1 . 2]" 1
783 1 65 LYS HA 1 66 ASP H 1.800 . 3.300 2.234 2.148 2.351 . 0 0 "[ . 1 . 2]" 1
784 1 65 LYS QB 1 66 ASP H 1.800 . 4.030 3.172 2.579 3.698 . 0 0 "[ . 1 . 2]" 1
785 1 65 LYS QG 1 66 ASP H 1.800 . 4.700 3.315 2.118 4.587 . 0 0 "[ . 1 . 2]" 1
786 1 65 LYS H 1 65 LYS QG 1.800 . 4.660 3.384 2.258 4.234 . 0 0 "[ . 1 . 2]" 1
787 1 66 ASP HA 1 67 GLU H 1.800 . 3.300 2.192 2.135 2.287 . 0 0 "[ . 1 . 2]" 1
788 1 66 ASP QB 1 67 GLU H 1.800 . 4.080 3.505 2.788 3.940 . 0 0 "[ . 1 . 2]" 1
789 1 66 ASP H 1 66 ASP QB 1.800 . 3.390 2.383 2.252 2.846 . 0 0 "[ . 1 . 2]" 1
790 1 67 GLU HA 1 67 GLU QG 1.800 . 3.990 2.646 2.292 3.312 . 0 0 "[ . 1 . 2]" 1
791 1 67 GLU HA 1 68 VAL HA 1.800 . 5.140 4.601 4.372 5.272 0.132 13 0 "[ . 1 . 2]" 1
792 1 67 GLU HA 1 68 VAL QG 1.800 . 5.290 3.879 3.058 4.663 . 0 0 "[ . 1 . 2]" 1
793 1 67 GLU HA 1 68 VAL H 1.800 . 3.600 2.815 2.180 3.571 . 0 0 "[ . 1 . 2]" 1
794 1 67 GLU QB 1 68 VAL H 1.800 . 4.540 3.165 1.785 4.066 0.015 18 0 "[ . 1 . 2]" 1
795 1 67 GLU HG3 1 68 VAL H 1.800 . 5.530 4.325 2.408 5.399 . 0 0 "[ . 1 . 2]" 1
796 1 67 GLU HG2 1 68 VAL H 1.800 . 5.530 4.664 3.263 5.636 0.106 14 0 "[ . 1 . 2]" 1
797 1 67 GLU H 1 67 GLU QG 1.800 . 4.470 3.227 2.038 4.376 . 0 0 "[ . 1 . 2]" 1
798 1 67 GLU H 1 68 VAL QG 1.800 . 5.980 4.099 2.842 5.681 . 0 0 "[ . 1 . 2]" 1
799 1 68 VAL HA 1 68 VAL MG1 1.800 . 4.230 2.526 2.236 3.216 . 0 0 "[ . 1 . 2]" 1
800 1 68 VAL HA 1 68 VAL MG2 1.800 . 4.230 2.656 2.262 3.206 . 0 0 "[ . 1 . 2]" 1
801 1 68 VAL HA 1 69 LEU HG 1.800 . 6.050 4.953 3.617 6.406 0.356 9 0 "[ . 1 . 2]" 1
802 1 68 VAL HA 1 69 LEU H 1.800 . 3.420 2.394 2.131 3.458 0.038 11 0 "[ . 1 . 2]" 1
803 1 68 VAL HB 1 69 LEU H 1.800 . 4.440 3.791 2.960 4.431 . 0 0 "[ . 1 . 2]" 1
804 1 68 VAL QG 1 69 LEU H 1.800 . 4.440 3.016 1.729 3.567 0.071 13 0 "[ . 1 . 2]" 1
805 1 68 VAL H 1 68 VAL HB 1.800 . 4.060 3.281 2.424 3.930 . 0 0 "[ . 1 . 2]" 1
806 1 68 VAL H 1 68 VAL QG 1.800 . 4.200 2.137 1.739 2.582 0.061 18 0 "[ . 1 . 2]" 1
807 1 69 LEU HA 1 69 LEU QD 1.800 . 4.020 2.346 1.968 3.236 . 0 0 "[ . 1 . 2]" 1
808 1 69 LEU HA 1 70 GLU H 1.800 . 3.580 2.611 2.125 3.444 . 0 0 "[ . 1 . 2]" 1
809 1 69 LEU QB 1 70 GLU QB 1.800 . 5.130 4.374 3.487 4.972 . 0 0 "[ . 1 . 2]" 1
810 1 69 LEU QB 1 70 GLU H 1.800 . 3.940 3.105 2.634 3.941 0.001 13 0 "[ . 1 . 2]" 1
811 1 69 LEU QD 1 70 GLU H 1.800 . 4.620 3.727 2.667 4.298 . 0 0 "[ . 1 . 2]" 1
812 1 69 LEU MD1 1 70 GLU H 1.800 . 6.050 4.514 3.049 5.192 . 0 0 "[ . 1 . 2]" 1
813 1 69 LEU MD2 1 70 GLU H 1.800 . 6.050 4.318 2.678 5.447 . 0 0 "[ . 1 . 2]" 1
814 1 69 LEU HG 1 70 GLU H 1.800 . 5.520 4.759 3.637 5.564 0.044 17 0 "[ . 1 . 2]" 1
815 1 69 LEU H 1 69 LEU QD 1.800 . 5.510 2.523 1.839 3.812 . 0 0 "[ . 1 . 2]" 1
816 1 69 LEU H 1 69 LEU HG 1.800 . 4.920 3.173 1.814 4.491 . 0 0 "[ . 1 . 2]" 1
817 1 70 GLU HA 1 71 HIS H 1.800 . 3.620 2.334 2.134 3.514 . 0 0 "[ . 1 . 2]" 1
818 1 70 GLU QB 1 71 HIS H 1.800 . 4.550 3.253 1.754 4.044 0.046 11 0 "[ . 1 . 2]" 1
819 1 70 GLU H 1 70 GLU QB 1.800 . 3.600 2.699 2.253 3.339 . 0 0 "[ . 1 . 2]" 1
820 1 70 GLU H 1 70 GLU QG 1.800 . 4.460 3.134 2.074 4.463 0.003 17 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 326
_Distance_constraint_stats_list.Viol_total 364.487
_Distance_constraint_stats_list.Viol_max 0.259
_Distance_constraint_stats_list.Viol_rms 0.0342
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0169
_Distance_constraint_stats_list.Viol_average_violations_only 0.0559
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 2.002 0.167 12 0 "[ . 1 . 2]"
1 4 THR 1.068 0.153 7 0 "[ . 1 . 2]"
1 5 GLY 2.689 0.183 18 0 "[ . 1 . 2]"
1 6 ILE 2.248 0.173 3 0 "[ . 1 . 2]"
1 7 VAL 1.117 0.095 6 0 "[ . 1 . 2]"
1 8 ASN 0.500 0.097 6 0 "[ . 1 . 2]"
1 13 LEU 0.118 0.042 16 0 "[ . 1 . 2]"
1 15 VAL 0.026 0.026 5 0 "[ . 1 . 2]"
1 16 ARG 0.792 0.106 17 0 "[ . 1 . 2]"
1 17 GLU 0.562 0.106 5 0 "[ . 1 . 2]"
1 24 LYS 0.562 0.106 5 0 "[ . 1 . 2]"
1 27 GLY 0.026 0.026 5 0 "[ . 1 . 2]"
1 29 LEU 0.118 0.042 16 0 "[ . 1 . 2]"
1 32 ASN 0.174 0.061 13 0 "[ . 1 . 2]"
1 33 THR 0.943 0.095 6 0 "[ . 1 . 2]"
1 35 VAL 2.689 0.183 18 0 "[ . 1 . 2]"
1 36 THR 3.066 0.259 15 0 "[ . 1 . 2]"
1 37 ILE 2.002 0.167 12 0 "[ . 1 . 2]"
1 39 GLY 0.444 0.117 8 0 "[ . 1 . 2]"
1 41 GLU 0.164 0.125 19 0 "[ . 1 . 2]"
1 43 ALA 0.990 0.164 17 0 "[ . 1 . 2]"
1 44 PHE 0.164 0.125 19 0 "[ . 1 . 2]"
1 45 TYR 0.961 0.123 7 0 "[ . 1 . 2]"
1 46 LYS 0.444 0.117 8 0 "[ . 1 . 2]"
1 47 ILE 0.332 0.060 17 0 "[ . 1 . 2]"
1 48 GLU 3.066 0.259 15 0 "[ . 1 . 2]"
1 49 TYR 1.146 0.120 17 0 "[ . 1 . 2]"
1 52 SER 1.146 0.120 17 0 "[ . 1 . 2]"
1 54 GLY 0.332 0.060 17 0 "[ . 1 . 2]"
1 55 TYR 0.792 0.106 17 0 "[ . 1 . 2]"
1 56 VAL 0.961 0.123 7 0 "[ . 1 . 2]"
1 58 LYS 0.990 0.164 17 0 "[ . 1 . 2]"
1 60 TYR 0.500 0.097 6 0 "[ . 1 . 2]"
1 62 LYS 2.248 0.173 3 0 "[ . 1 . 2]"
1 65 LYS 1.068 0.153 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 VAL O 1 32 ASN H 1.700 . 2.300 2.127 1.868 2.361 0.061 13 0 "[ . 1 . 2]" 2
2 1 7 VAL O 1 32 ASN N 2.700 2.700 3.300 2.837 2.674 3.067 0.026 3 0 "[ . 1 . 2]" 2
3 1 3 LYS H 1 37 ILE O 1.700 . 2.300 2.360 2.235 2.467 0.167 12 0 "[ . 1 . 2]" 2
4 1 3 LYS N 1 37 ILE O 2.700 2.700 3.300 3.272 3.087 3.349 0.049 12 0 "[ . 1 . 2]" 2
5 1 5 GLY O 1 35 VAL H 1.700 . 2.300 2.366 2.270 2.457 0.157 18 0 "[ . 1 . 2]" 2
6 1 5 GLY O 1 35 VAL N 2.700 2.700 3.300 3.288 3.132 3.418 0.118 18 0 "[ . 1 . 2]" 2
7 1 3 LYS O 1 37 ILE H 1.700 . 2.300 1.782 1.690 2.017 0.010 6 0 "[ . 1 . 2]" 2
8 1 3 LYS O 1 37 ILE N 2.700 2.700 3.300 2.703 2.628 2.828 0.072 15 0 "[ . 1 . 2]" 2
9 1 5 GLY H 1 35 VAL O 1.700 . 2.300 2.308 2.167 2.483 0.183 18 0 "[ . 1 . 2]" 2
10 1 5 GLY N 1 35 VAL O 2.700 2.700 3.300 3.232 3.015 3.423 0.123 18 0 "[ . 1 . 2]" 2
11 1 6 ILE O 1 62 LYS H 1.700 . 2.300 2.276 2.098 2.374 0.074 15 0 "[ . 1 . 2]" 2
12 1 6 ILE O 1 62 LYS N 2.700 2.700 3.300 3.208 3.032 3.331 0.031 15 0 "[ . 1 . 2]" 2
13 1 4 THR O 1 65 LYS H 1.700 . 2.300 2.339 2.204 2.453 0.153 7 0 "[ . 1 . 2]" 2
14 1 4 THR O 1 65 LYS N 2.700 2.700 3.300 3.204 2.959 3.339 0.039 17 0 "[ . 1 . 2]" 2
15 1 6 ILE H 1 62 LYS O 1.700 . 2.300 2.374 2.195 2.473 0.173 3 0 "[ . 1 . 2]" 2
16 1 6 ILE N 1 62 LYS O 2.700 2.700 3.300 3.241 3.100 3.420 0.120 15 0 "[ . 1 . 2]" 2
17 1 7 VAL H 1 33 THR O 1.700 . 2.300 2.339 2.263 2.395 0.095 6 0 "[ . 1 . 2]" 2
18 1 7 VAL N 1 33 THR O 2.700 2.700 3.300 3.248 3.131 3.334 0.034 5 0 "[ . 1 . 2]" 2
19 1 8 ASN H 1 60 TYR O 1.700 . 2.300 2.244 1.808 2.397 0.097 6 0 "[ . 1 . 2]" 2
20 1 8 ASN N 1 60 TYR O 2.700 2.700 3.300 3.144 2.695 3.328 0.028 6 0 "[ . 1 . 2]" 2
21 1 13 LEU H 1 29 LEU O 1.700 . 2.300 2.091 1.755 2.342 0.042 16 0 "[ . 1 . 2]" 2
22 1 13 LEU N 1 29 LEU O 2.700 2.700 3.300 3.041 2.720 3.323 0.023 16 0 "[ . 1 . 2]" 2
23 1 15 VAL H 1 27 GLY O 1.700 . 2.300 2.008 1.733 2.326 0.026 5 0 "[ . 1 . 2]" 2
24 1 15 VAL N 1 27 GLY O 2.700 2.700 3.300 2.962 2.701 3.237 . 0 0 "[ . 1 . 2]" 2
25 1 16 ARG H 1 55 TYR O 1.700 . 2.300 2.307 2.128 2.406 0.106 17 0 "[ . 1 . 2]" 2
26 1 16 ARG N 1 55 TYR O 2.700 2.700 3.300 3.212 3.036 3.314 0.014 16 0 "[ . 1 . 2]" 2
27 1 17 GLU H 1 24 LYS O 1.700 . 2.300 2.240 1.784 2.406 0.106 5 0 "[ . 1 . 2]" 2
28 1 17 GLU N 1 24 LYS O 2.700 2.700 3.300 3.157 2.713 3.375 0.075 4 0 "[ . 1 . 2]" 2
29 1 13 LEU O 1 29 LEU H 1.700 . 2.300 1.848 1.710 2.162 . 0 0 "[ . 1 . 2]" 2
30 1 13 LEU O 1 29 LEU N 2.700 2.700 3.300 2.793 2.680 3.033 0.020 20 0 "[ . 1 . 2]" 2
31 1 41 GLU H 1 44 PHE O 1.700 . 2.300 2.050 1.730 2.266 . 0 0 "[ . 1 . 2]" 2
32 1 41 GLU N 1 44 PHE O 2.700 2.700 3.300 2.943 2.676 3.144 0.024 15 0 "[ . 1 . 2]" 2
33 1 41 GLU O 1 44 PHE H 1.700 . 2.300 2.131 1.924 2.425 0.125 19 0 "[ . 1 . 2]" 2
34 1 41 GLU O 1 44 PHE N 2.700 2.700 3.300 2.979 2.755 3.189 . 0 0 "[ . 1 . 2]" 2
35 1 45 TYR H 1 56 VAL O 1.700 . 2.300 1.936 1.827 2.141 . 0 0 "[ . 1 . 2]" 2
36 1 45 TYR N 1 56 VAL O 2.700 2.700 3.300 2.872 2.753 3.081 . 0 0 "[ . 1 . 2]" 2
37 1 39 GLY O 1 46 LYS H 1.700 . 2.300 2.267 1.748 2.417 0.117 8 0 "[ . 1 . 2]" 2
38 1 39 GLY O 1 46 LYS N 2.700 2.700 3.300 3.166 2.716 3.275 . 0 0 "[ . 1 . 2]" 2
39 1 47 ILE H 1 54 GLY O 1.700 . 2.300 2.036 1.831 2.233 . 0 0 "[ . 1 . 2]" 2
40 1 47 ILE N 1 54 GLY O 2.700 2.700 3.300 2.981 2.790 3.101 . 0 0 "[ . 1 . 2]" 2
41 1 36 THR O 1 48 GLU H 1.700 . 2.300 2.427 2.357 2.559 0.259 15 0 "[ . 1 . 2]" 2
42 1 36 THR O 1 48 GLU N 2.700 2.700 3.300 3.318 3.265 3.427 0.127 15 0 "[ . 1 . 2]" 2
43 1 49 TYR H 1 52 SER O 1.700 . 2.300 2.127 1.777 2.420 0.120 17 0 "[ . 1 . 2]" 2
44 1 49 TYR N 1 52 SER O 2.700 2.700 3.300 2.849 2.663 3.166 0.037 4 0 "[ . 1 . 2]" 2
45 1 49 TYR O 1 52 SER H 1.700 . 2.300 2.144 1.764 2.416 0.116 18 0 "[ . 1 . 2]" 2
46 1 49 TYR O 1 52 SER N 2.700 2.700 3.300 2.822 2.642 3.168 0.058 10 0 "[ . 1 . 2]" 2
47 1 47 ILE O 1 54 GLY H 1.700 . 2.300 2.210 1.928 2.360 0.060 17 0 "[ . 1 . 2]" 2
48 1 47 ILE O 1 54 GLY N 2.700 2.700 3.300 3.000 2.726 3.208 . 0 0 "[ . 1 . 2]" 2
49 1 16 ARG O 1 55 TYR H 1.700 . 2.300 1.917 1.731 2.340 0.040 8 0 "[ . 1 . 2]" 2
50 1 16 ARG O 1 55 TYR N 2.700 2.700 3.300 2.789 2.683 3.287 0.017 17 0 "[ . 1 . 2]" 2
51 1 45 TYR O 1 56 VAL H 1.700 . 2.300 2.323 2.198 2.423 0.123 7 0 "[ . 1 . 2]" 2
52 1 45 TYR O 1 56 VAL N 2.700 2.700 3.300 3.252 3.140 3.371 0.071 7 0 "[ . 1 . 2]" 2
53 1 43 ALA O 1 58 LYS H 1.700 . 2.300 2.315 1.961 2.464 0.164 17 0 "[ . 1 . 2]" 2
54 1 43 ALA O 1 58 LYS N 2.700 2.700 3.300 3.230 2.904 3.332 0.032 19 0 "[ . 1 . 2]" 2
stop_
save_
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